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Asitrilobin C

Properties

Image

Occurences in reactions

MNX_ID

MNXM119401

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₃₇H₆₈O₇

charge

mass

624.4965

reference

chebi:170869

InChIKey

BCBLVYJIKUTOHM-UHFFFAOYSA-N

InChI

InChI=1S/C37H68O7/c1-3-4-5-6-7-8-9-14-17-20-23-33(40)35-24-25-36(44-35)34(41)28-32(39)22-19-16-13-11-10-12-15-18-21-31(38)27-30-26-29(2)43-37(30)42/h26,29,31-36,38-41H,3-25,27-28H2,1-2H3

SMILES

CCCCCCCCCCCCC(O)C1CCC(C(O)CC(O)CCCCCCCCCCC(O)CC2=CC(C)OC2=O)O1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:170869 chebi:170869	Asitrilobin C 2-methyl-4-[2,13,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl]-2H-uran-5-one
hmdb:HMDB0035436	Asitrilobin C 5-methyl-3-{2,13,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl}-2,5-dihydrofuran-2-one 5-methyl-3-{2,13,15-trihydroxy-15-[5-(1-hydroxytridecyl)oxolan-2-yl]pentadecyl}-5H-furan-2-one
hmdb:HMDB35436	secondary/obsolete/fantasy identifier