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Asitrilobin D

PropertiesImageOccurences in reactions
MNX_IDMNXM119402Image of MNXM119402
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H68O7
charge0
mass624.4965
referencechebi:170871
InChIKeyIFULYTAZAAQCHW-UXXGTDFTSA-N
InChIInChI=1S/C37H68O7/c1-3-4-5-6-7-8-12-19-24-33(40)35-25-26-36(44-35)34(41)28-32(39)23-18-14-13-17-22-31(38)21-16-11-9-10-15-20-30-27-29(2)43-37(30)42/h27,29,31-36,38-41H,3-26,28H2,1-2H3/t29-,31+,32-,33+,34+,35+,36+/m0/s1
SMILESCCCCCCCCCC[C@@H](O)[C@H]1CC[C@H]([C@H](O)C[C@@H](O)CCCCCC[C@H](O)CCCCCCCC2=C[C@H](C)OC2=O)O1
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 Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:170871
chebi:170871 		Asitrilobin D
(2S)-2-methyl-4-[(8R,15S,17R)-8,15,17-trihydroxy-17-[(2R,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]heptadecyl]-2H-uran-5-one
hmdb:HMDB0035389 Asitrilobin D
5-methyl-3-{8,15,17-trihydroxy-17-[5-(1-hydroxyundecyl)oxolan-2-yl]heptadecyl}-2,5-dihydrofuran-2-one
5-methyl-3-{8,15,17-trihydroxy-17-[5-(1-hydroxyundecyl)oxolan-2-yl]heptadecyl}-5H-furan-2-one
hmdb:HMDB35389 secondary/obsolete/fantasy identifier