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Fulvyne B

PropertiesImage
MNX_IDMNXM1130342 Image of MNXM1130342
referencechebi:183074
formulaC47H72O12
global charge0
mol weight829.081
InChIKeySWJKUWCDHPPENI-MOXTZTJUSA-N
InChIInChI=1S/C47H72O12/c1-2-37(48)31-32-41(52)28-22-30-42(53)43(54)34-33-40(51)27-20-15-19-26-39(50)25-18-13-10-12-17-24-38(49)23-16-11-8-6-4-3-5-7-9-14-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,18,25,31-32,37,39-45,47-48,50-56,59H,3-17,19,21-24,26,28-30H2,(H,57,58)/b25-18+,32-31+
SMILESC#CC(O)/C=C/C(O)CCCC(O)C(O)C#CC(O)C#CCCCC(O)/C=C/CCCCCC(=O)CCCCCCCCCCCCCC(O)C(O)C(O)C#CC(=O)O
MNX internals
InChI (mnx)InChI=1/C47H72O12/c1-2-37(48)31-32-41(52)28-22-30-42(53)43(54)34-33-40(51)27-20-15-19-26-39(50)25-18-13-10-12-17-24-38(49)23-16-11-8-6-4-3-5-7-9-14-21-29-44(55)47(59)45(56)35-36-46(57)58/h1,18,25,31-32,37,39-45,47-48,50-56,59H,3-17,19,21-24,26,28-30H2,(H,57,58)/b25-18+,32-31+/t37?,39?,40?,41?,42?,43?,44?,45?,47? Image of MNXM1130342
SMILES (mnx)[CH:1]#[C:2][CH:37](/[CH:31]=[CH:32]/[CH:41]([CH2:28][CH2:22][CH2:30][CH:42]([CH:43]([C:34]#[C:33][CH:40]([C:27]#[C:20][CH2:15][CH2:19][CH2:26][CH:39](/[CH:25]=[CH:18]/[CH2:13][CH2:10][CH2:12][CH2:17][CH2:24][C:38]([CH2:23][CH2:16][CH2:11][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:14][CH2:21][CH2:29][CH:44]([CH:47]([CH:45]([C:35]#[C:36][C:46](=[O:57])[OH:58])[OH:56])[OH:59])[OH:55])=[O:49])[OH:50])[OH:51])[OH:54])[OH:53])[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:183074
chebi:183074
SWJKUWCDHPPENI-MOXTZTJUSA-N 		Fulvyne B
(26E,43E)-4,5,6,28,34,37,38,42,45-nonahydroxy-20-oxoheptatetraconta-26,43-dien-2,32,35,46-tetraynoic acid

lipidmaps:LMFA01031228
lipidmapsM:LMFA01031228
SWJKUWCDHPPENI-MOXTZTJUSA-N 		Fulvyne B
20-oxo-4,5,6,28,34,37,38,42,45-nonahydroxy-heptatetraconta-26E,43E-dien-2,32,35,46-tetraynoic acid
FA 47:11
O10