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CHEBI:16470 - glyceollin

ChEBI IDCHEBI:16470
ChEBI Nameglyceollin
Stars
Secondary ChEBI IDsCHEBI:5444, CHEBI:14332, CHEBI:24342
Last Modified18 October 2017
DownloadsMolfile

FormulaC20H18O5
Net Charge0
Average Mass338.359
Monoisotopic Mass338.11542
SMILES[H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1c2ccc2c1C=CC(C)(C)O2
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
InChIKeyYIFYYPKWOQSCRI-AZUAARDMSA-N

ChEBI Ontology
IUPAC Name 
(6aS,11aS)-2,2-dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol
Synonyms  Source
GlyceollinKEGG COMPOUND
(-)-Glyceollin IKEGG COMPOUND
GlyceollinKEGG COMPOUND
UniProt Name  Source
glyceollin IUniProt
Manual XrefsDatabases
C01701KEGG COMPOUND
C01701KEGG COMPOUND
C00002530KNApSAcK
C15601KEGG COMPOUND
Registry NumbersSources
CAS:57103-57-8KEGG COMPOUND
CAS:66241-09-6KEGG COMPOUND