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CHEBI:216321 - Ganotheaecolin A

ChEBI IDCHEBI:216321
ChEBI NameGanotheaecolin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC(=O)C(O)=C4C=CC[C@](C)(CC[C@]12C)[C@@]34O
InChIInChI=1S/C28H40O3/c1-17(2)18(3)9-10-19(4)20-11-12-21-23-16-24(29)25(30)22-8-7-13-26(5,28(22,23)31)14-15-27(20,21)6/h7-10,16-21,30-31H,11-15H2,1-6H3/b10-9+/t18-,19+,20+,21-,26+,27+,28-/m0/s1
InChIKeyPZBNMAFUFCEVHI-USNDCAFGSA-N
Species of MetaboliteComponentSourceComments
Ganoderma (ncbitaxon:5314) - PubMed (28124916)
ChEBI Ontology
Outgoing Relation(s)
Ganotheaecolin A (CHEBI:216321) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2R,5R,6R,9S,17R)-5-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-14,17-dihydroxy-6,9-dimethyltetracyclo[7.7.1.02,6.013,17]heptadeca-1(16),11,13-trien-15-one
Manual XrefsDatabases
58827003ChemSpider