CHEBI:16470 - glyceollin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glyceollin
ChEBI ID CHEBI:16470
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:5444, CHEBI:14332, CHEBI:24342
Supplier Information
Download Molfile XML SDF
Formula C20H18O5
Net Charge 0
Average Mass 338.35392
Monoisotopic Mass 338.11542
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
InChIKey YIFYYPKWOQSCRI-AZUAARDMSA-N
SMILES [H][C@@]12Oc3cc(O)ccc3[C@]1(O)COc1c3C=CC(C)(C)Oc3ccc21
ChEBI Ontology
Outgoing glyceollin (CHEBI:16470) is a organic heteropentacyclic compound (CHEBI:38164)
IUPAC Name
(6aS,11aS)-2,2-dimethyl-2H,6H-[1]benzofuro[3,2-c]pyrano[2,3-h]chromene-6a,9(11aH)-diol
Synonyms Sources
(-)-Glyceollin I KEGG COMPOUND
Glyceollin KEGG COMPOUND
Glyceollin KEGG COMPOUND
glyceollin I UniProt
Manual Xrefs Databases
C00002530 KNApSAcK
C01701 KEGG COMPOUND
C15601 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
57103-57-8 CAS Registry Number KEGG COMPOUND
66241-09-6 CAS Registry Number KEGG COMPOUND
Last Modified
18 October 2017