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glyceollin I

PropertiesImage
MNX_IDMNXM734168 Image of MNXM734168
referencechebi:16470
formulaC20H18O5
global charge0
mol weight338.359
InChIKeyYIFYYPKWOQSCRI-AZUAARDMSA-N
InChIInChI=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
SMILESCC1(C)C=Cc2c(ccc3c2OC[C@@]2(O)c4ccc(O)cc4O[C@@H]32)O1
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM734168
SMILES (mnx)[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
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:16470
chebi:16470
YIFYYPKWOQSCRI-AZUAARDMSA-N 		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
YIFYYPKWOQSCRI-AZUAARDMSA-N 		(-)-Glyceollin I

kegg.compound:C01701
keggC:C01701
YIFYYPKWOQSCRI-AZUAARDMSA-N 		(-)-Glyceollin I
Glyceollin

seed.compound:cpd01174
seedM:cpd01174
YIFYYPKWOQSCRI-AZUAARDMSA-N 		Glyceollin
(-)-Glyceollin I
(-)-glyceollin I
glyceollin
glyceollin I

metacyc.compound:CPD-4405
metacycM:CPD-4405
YIFYYPKWOQSCRI-AZUAARDMSA-N 		glyceollin I
(-) - glyceollin I
glyceollin

chebi:14332
chebi:24342
chebi:5444
keggC:M_C01701
seedM:M_cpd01174 		secondary/obsolete/fantasy identifier