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glyceollin III

MNXM5170 is deprecated and here replaced by MNXM737545
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM737545

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₂₀H₁₈O₅

charge

mass

338.11542

reference

chebi:52086

InChIKey

MIYTVBARXCVVHZ-RYGJVYDSSA-N

InChI

InChI=1S/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3/t15-,19-,20+/m0/s1

SMILES

C=C(C)[C@@H]1Cc2cc3c(cc2O1)OC[C@@]1(O)c2ccc(O)cc2O[C@@H]31

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:52086 chebi:52086	glyceollin III (2S,6aS,11aS)-2-(prop-1-en-2-yl)-1,2-dihydro-6H-[1]benzofuro[3,2-c]furo[3,2-g]chromene-6a,9(11aH)-diol
kegg.compound:C15511 keggC:C15511	Glyceollin III
seed.compound:cpd11191 seedM:cpd11191	Glyceollin III glyceollin III
metacyc.compound:CPD-4407 metacycM:CPD-4407	glyceollin III
keggC:M_C15511 seedM:M_cpd11191	secondary/obsolete/fantasy identifier