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glyceollin I

Properties

Image

Occurences in reactions

MNX_ID

MNXM1377368

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₂₀H₁₈O₅

charge

mass

338.359

reference

chebi:16470

InChIKey

YIFYYPKWOQSCRI-AZUAARDMSA-N

InChI

InChI=1S/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3/t18-,20+/m0/s1

SMILES

[CH3:1][C:19]1([CH3:2])[CH:8]=[CH:7][c:12]2[c:15]([cH:6][cH:4][c:13]3[c:17]2[O:23][CH2:10][C@@:20]2([OH:22])[c:14]4[cH:5][cH:3][c:11]([OH:21])[cH:9][c:16]4[O:24][C@@H:18]32)[O:25]1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:16470 chebi:16470	glyceollin I (-)-Glyceollin I (6aS,11aS)-2,2-dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol Glyceollin glyceollin
lipidmaps:LMPK12070123 lipidmapsM:LMPK12070123	(-)-Glyceollin I
kegg.compound:C01701 keggC:C01701	(-)-Glyceollin I Glyceollin
seed.compound:cpd01174 seedM:cpd01174	Glyceollin (-)-Glyceollin I (-)-glyceollin I glyceollin glyceollin I
chebi:14332 chebi:24342 chebi:5444 keggC:M_C01701 seedM:M_cpd01174	secondary/obsolete/fantasy identifier