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CHEBI:213114 - Ganbajunin A

ChEBI IDCHEBI:213114
ChEBI NameGanbajunin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H32O9
Net Charge0
Average Mass692.720
Monoisotopic Mass692.20463
SMILESCOC1=C(c2ccc(OC(=O)Cc3ccccc3)cc2)C(=O)C(OC(=O)Cc2ccccc2)=C(c2ccc(OC(=O)Cc3ccccc3)cc2)C1=O
InChIInChI=1S/C43H32O9/c1-49-42-38(31-17-21-33(22-18-31)50-35(44)25-28-11-5-2-6-12-28)41(48)43(52-37(46)27-30-15-9-4-10-16-30)39(40(42)47)32-19-23-34(24-20-32)51-36(45)26-29-13-7-3-8-14-29/h2-24H,25-27H2,1H3
InChIKeyRTONZZNCUQSUBC-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Thelephora ganbajun (ncbitaxon:370292) - DOI (10.1002/1522-2675(20011114)84:11%3c3342::aid-hlca3342%3e3.0.co;2-k)
ChEBI Ontology
Outgoing Relation(s)
Ganbajunin A (CHEBI:213114) is a benzoate ester (CHEBI:36054)
Ganbajunin A (CHEBI:213114) is a phenols (CHEBI:33853)
IUPAC Name 
[4-[2-methoxy-3,6-dioxo-5-(2-phenylacetyl)oxy-4-[4-(2-phenylacetyl)oxyphenyl]cyclohexa-1,4-dien-1-yl]phenyl] 2-phenylacetate
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