CHEBI:213114 - Ganbajunin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Ganbajunin A
ChEBI ID CHEBI:213114
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H32O9
Net Charge 0
Average Mass 692.720
Monoisotopic Mass 692.20463
InChI InChI=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
InChIKey RTONZZNCUQSUBC-UHFFFAOYSA-N
SMILES O=C1C(OC(=O)CC2=CC=CC=C2)=C(C(=O)C(=C1C3=CC=C(OC(=O)CC4=CC=CC=C4)C=C3)OC)C5=CC=C(OC(=O)CC6=CC=CC=C6)C=C5
Metabolite of Species Details
Thelephora ganbajun (NCBI:txid370292) See: DOI
ChEBI Ontology
Outgoing 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
Manual Xref Database
78435699 ChemSpider
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