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Fulvyne A

PropertiesImage
MNX_IDMNXM1130336 Image of MNXM1130336
referencechebi:183073
formulaC47H72O12
global charge0
mol weight829.081
InChIKeyHCYVKXJJRVFHDS-WWKKMSDWSA-N
InChIInChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)27-19-25-40(51)26-20-29-43(54)34-33-42(53)28-18-24-39(50)23-16-12-9-11-15-22-38(49)21-14-10-7-5-3-4-6-8-13-17-30-44(55)47(59)45(56)35-36-46(57)58/h1,15,22,31-32,37-38,40-45,47-49,51-56,59H,3-14,16-19,21,23-28,30H2,(H,57,58)/b22-15+,32-31+
SMILESC#CC(O)/C=C/C(O)CCCC(O)CC#CC(O)C#CC(O)CCCC(=O)CCCCC/C=C/C(O)CCCCCCCCCCCCC(O)C(O)C(O)C#CC(=O)O
MNX internals
InChI (mnx)InChI=1/C47H72O12/c1-2-37(48)31-32-41(52)27-19-25-40(51)26-20-29-43(54)34-33-42(53)28-18-24-39(50)23-16-12-9-11-15-22-38(49)21-14-10-7-5-3-4-6-8-13-17-30-44(55)47(59)45(56)35-36-46(57)58/h1,15,22,31-32,37-38,40-45,47-49,51-56,59H,3-14,16-19,21,23-28,30H2,(H,57,58)/b22-15+,32-31+/t37?,38?,40?,41?,42?,43?,44?,45?,47? Image of MNXM1130336
SMILES (mnx)[CH:1]#[C:2][CH:37](/[CH:31]=[CH:32]/[CH:41]([CH2:27][CH2:19][CH2:25][CH:40]([CH2:26][C:20]#[C:29][CH:43]([C:34]#[C:33][CH:42]([CH2:28][CH2:18][CH2:24][C:39]([CH2:23][CH2:16][CH2:12][CH2:9][CH2:11]/[CH:15]=[CH:22]/[CH:38]([CH2:21][CH2:14][CH2:10][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:13][CH2:17][CH2:30][CH:44]([CH:47]([CH:45]([C:35]#[C:36][C:46](=[O:57])[OH:58])[OH:56])[OH:59])[OH:55])[OH:49])=[O:50])[OH:53])[OH:54])[OH:51])[OH:52])[OH:48]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:183073
chebi:183073
HCYVKXJJRVFHDS-WWKKMSDWSA-N 		Fulvyne A
(20E,43E)-4,5,6,19,31,34,38,42,45-nonahydroxy-27-oxoheptatetraconta-20,43-dien-2,32,35,46-tetraynoic acid

lipidmaps:LMFA01031222
lipidmapsM:LMFA01031222
HCYVKXJJRVFHDS-WWKKMSDWSA-N 		Fulvyne A
27-oxo-4,5,6,19,31,34,38,42,45-nonahydroxy-heptatetraconta-20E,43E-dien-2,32,35,46-tetraynoic acid
FA 47:11
O10