Chemical Structure Lookup Service

1-1

DB	NCI Open Database NCI Open Database, DTP and PubChem releases combined by CADD/LMC/NCI
Release	2006-07-00
ID	34496

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	D00369F58FC448A8-FICuS-01
FICTS	D00369F58FC448A8-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey	InChIKey=BWBVNPNIHQQWIR-CLFAGFIQSA-N

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C₃₆H₆₆O₄
Formula

1-3

DB	ChemDB (PubChem) UC Irvine public chemical database, Prof. Pierre Baldi (PubChem)
Release	2007-07-26
ID	4983728 (4673693)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	1E76A2A812AEDC08-FICuS-01
FICTS	1E76A2A812AEDC08-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3
InChIKey	InChIKey=BWBVNPNIHQQWIR-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

1-5

DB	ChemIDplus (PubChem) NLM ChemIDplus database (PubChem)
Release	2007-07-26
ID	036781745 (3739427)

uuuuu	92FFF3E167B45F36-uuuuu-01
FICuS	0C48F544C5DCC21A-FICuS-01
FICTS	0C48F544C5DCC21A-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-10-11-12-13... InChI=1S/C36H66O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-28-32-35(38)40-36(39)33-29-25-22-19-18-20-23-27-31-34(37)30-26-8-6-4-2/h13-14,23,27,34,37H,3-12,15-22,24-26,28-33H2,1-2H3/b14-13-,27-23-
InChIKey	InChIKey=WVTHNQAOSQVAED-PRWWZWSXSA-N

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C₃₆H₆₆O₄
Formula

1-7

DB	DiscoveryGate (PubChem) Compounds from Elsevier MDL DiscoveryGate (PubChem)
Release	2007-07-26
ID	5838582 (11805663)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	574A6023A66E5669-FICuS-01
FICTS	574A6023A66E5669-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17+,20-18+
InChIKey	InChIKey=BWBVNPNIHQQWIR-XPWSMXQVSA-N

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C₃₆H₆₆O₄
Formula

1-9

DB	DiscoveryGate (PubChem) Compounds from Elsevier MDL DiscoveryGate (PubChem)
Release	2007-07-26
ID	10698160 (22982151)

uuuuu	BA51BCF762FDC2CD-uuuuu-01
FICuS	683687B529A398E2-FICuS-01
FICTS	683687B529A398E2-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-27(2)35(39,29(23-37... InChI=1S/C36H66O4/c1-27(2)35(39,29(23-37)21-31(5,6)7)25-33(11,12)19-17-15-16-18-20-34(13,14)26-36(40,28(3)4)30(24-38)22-32(8,9)10/h17-22,27-28,37-40H,15-16,23-26H2,1-14H3/b19-17+,20-18+,29-21+,30-22+
InChIKey	InChIKey=AOBHVCXYPCRSKV-ASTLCEIGSA-N

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C₃₆H₆₆O₄
Formula

1-11

DB	DTP-NCI (PubChem) Open Database of the Developmental Therapeutics Program, NCI, NIH
Release	2007-07-26
ID	34496 (92104)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	D00369F58FC448A8-FICuS-01
FICTS	D00369F58FC448A8-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey	InChIKey=BWBVNPNIHQQWIR-CLFAGFIQSA-N

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C₃₆H₆₆O₄
Formula

1-13

DB	Thomson Pharma (PubChem) Structures from Thomson Pharma information solutions
Release	2007-07-26
ID	01954182 (16396046)

uuuuu	FA15C9A60225556B-uuuuu-01
FICuS	53DFEFE667C03048-FICuS-01
FICTS	53DFEFE667C03048-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C18H34O2.C18H32O2/c21-2-3-4-5-... InChI=1S/C18H34O2.C18H32O2/c21-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20);6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b10-9-;7-6-,10-9-
InChIKey	InChIKey=ONRGCKHNIPGJGT-BFIYWSAOSA-N

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C₃₆H₆₆O₄
Formula

1-15

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	14554386 (32993921)

uuuuu	38948768BA3A6EBD-uuuuu-01
FICuS	38948768BA3A6EBD-FICuS-01
FICTS	38948768BA3A6EBD-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-4-7-10-13-16-19-20-... InChI=1S/C36H66O4/c1-4-7-10-13-16-19-20-21-24-27-30-34(40-36(38)32-29-26-23-18-15-12-9-6-3)33-39-35(37)31-28-25-22-17-14-11-8-5-2/h5-6,34H,2-4,7-33H2,1H3
InChIKey	InChIKey=FSKARQSUFBFKKX-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

1-17

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	4511382 (39380895)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	D00369F58FC448A8-FICuS-01
FICTS	D00369F58FC448A8-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-
InChIKey	InChIKey=BWBVNPNIHQQWIR-CLFAGFIQSA-N

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C₃₆H₆₆O₄
Formula

1-19

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	11264868 (38381178)

uuuuu	6F945C3203F00099-uuuuu-01
FICuS	512A94C9814E0075-FICuS-01
FICTS	512A94C9814E0075-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-39-35(37)31-32-36(38)40-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32H2,1-2H3/b33-29+,34-30+
InChIKey	InChIKey=NEWVKKWKRJKDPO-BNRZXNFUSA-N

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C₃₆H₆₆O₄
Formula

1-21

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	15695161 (36720627)

uuuuu	06CCDFBC71260C54-uuuuu-01
FICuS	06CCDFBC71260C54-FICuS-01
FICTS	06CCDFBC71260C54-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-8-9-10-11-12-13-14-... InChI=1S/C36H66O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-39-28-31(37)29-40-27-30-25-32(35(2,3)4)34(38)33(26-30)36(5,6)7/h25-26,31,37-38H,8-24,27-29H2,1-7H3
InChIKey	InChIKey=JFFWIGYAFSGVCF-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

1-23

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	4938090 (43026648)

uuuuu	92FFF3E167B45F36-uuuuu-01
FICuS	0C48F544C5DCC21A-FICuS-01
FICTS	0C48F544C5DCC21A-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-10-11-12-13... InChI=1S/C36H66O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-21-24-28-32-35(38)40-36(39)33-29-25-22-19-18-20-23-27-31-34(37)30-26-8-6-4-2/h13-14,23,27,34,37H,3-12,15-22,24-26,28-33H2,1-2H3/b14-13-,27-23-
InChIKey	InChIKey=WVTHNQAOSQVAED-PRWWZWSXSA-N

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C₃₆H₆₆O₄
Formula

1-25

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	10801559 (37644982)

uuuuu	B6C71CCBACDD7DD2-uuuuu-01
FICuS	06870B6AB6B66744-FICuS-01
FICTS	06870B6AB6B66744-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c37-35(38)33-31-29-27-... InChI=1S/C36H66O4/c37-35(38)33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36(39)40/h17-20H,1-16,21-34H2,(H,37,38)(H,39,40)/b19-17+,20-18+
InChIKey	InChIKey=MVDALFCDVBKIRZ-XPWSMXQVSA-N

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C₃₆H₆₆O₄
Formula

1-27

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	10002509 (29256805)

uuuuu	5BB907A7763401DE-uuuuu-01
FICuS	1E5D4A50DA50D22D-FICuS-01
FICTS	1E5D4A50DA50D22D-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-7-9-11-13-15-17-19-... InChI=1S/C36H66O4/c1-7-9-11-13-15-17-19-23-27-31-33(39-35(3,4)37-31)29-25-21-22-26-30-34-32(38-36(5,6)40-34)28-24-20-18-16-14-12-10-8-2/h7,21-22,31-34H,1,8-20,23-30H2,2-6H3/b22-21+/t31-,32-,33-,34-/m1/s1
InChIKey	InChIKey=HGBAVTVDXJVRKG-OXGMKNIMSA-N

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C₃₆H₆₆O₄
Formula

1-29

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	15988724 (29391946)

uuuuu	8F8E6D247B6124BC-uuuuu-01
FICuS	2989911F2F380460-FICuS-01
FICTS	2989911F2F380460-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C12H20O2.2C10H20.C4H6O2/c13-10-... InChI=1S/C12H20O2.2C10H20.C4H6O2/c13-10-12(11-14)8-6-4-2-1-3-5-7-9-12;21-2-4-6-8-10-9-7-5-3-1;1-3(2)4(5)6/h10-11H,1-9H2;21-10H2;1H2,2H3,(H,5,6)
InChIKey	InChIKey=ZFXBPFRRFQUXDJ-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

1-31

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	4718254 (39581279)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	574A6023A66E5669-FICuS-01
FICTS	574A6023A66E5669-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17+,20-18+
InChIKey	InChIKey=BWBVNPNIHQQWIR-XPWSMXQVSA-N

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C₃₆H₆₆O₄
Formula

1-33

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	19320487 (33860119)

uuuuu	68EDF611EFC1F88D-uuuuu-01
FICuS	68EDF611EFC1F88D-FICuS-01
FICTS	68EDF611EFC1F88D-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-13-19-25-35... InChI=1S/C36H66O4/c1-3-5-7-9-13-19-25-35-33(23-17-8-6-4-2)27-28-34(24-18-12-10-15-21-29-39-31-37)36(35)26-20-14-11-16-22-30-40-32-38/h27-28,37-38H,3-26,29-32H2,1-2H3
InChIKey	InChIKey=OSFOSAGBEWGVCM-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

1-35

DB	ChemSpider (PubChem) Aggregated database of the ChemSpider chemistry search engine, Anthony Williams
Release	2008-06-10
ID	204537 (30033913)

uuuuu	1E76A2A812AEDC08-uuuuu-01
FICuS	1E76A2A812AEDC08-FICuS-01
FICTS	1E76A2A812AEDC08-FICTS-01
Formula	C₃₆H₆₆O₄
InChI	InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17... InChI=1S/C36H66O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-40-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3
InChIKey	InChIKey=BWBVNPNIHQQWIR-UHFFFAOYSA-N

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C₃₆H₆₆O₄
Formula

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