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CHEBI:198241 - Antrodin A

ChEBI IDCHEBI:198241
ChEBI NameAntrodin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESCC1=CC(=O)[C@]2(C)[C@@H](O)[C@H]3CC(C)(C)C[C@H]3[C@]12O
InChIInChI=1S/C15H22O3/c1-8-5-11(16)14(4)12(17)9-6-13(2,3)7-10(9)15(8,14)18/h5,9-10,12,17-18H,6-7H2,1-4H3/t9-,10+,12-,14+,15+/m0/s1
InChIKeyUGBJNLYKOBXVAD-BKNSQDEOSA-N
Species of MetaboliteComponentSourceComments
Cerrena albocinnamomea (ncbitaxon:2169404) - PubMed (25704368)
ChEBI Ontology
Outgoing Relation(s)
Antrodin A (CHEBI:198241) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aS,3bR,6aS,7S,7aR)-3a,7-dihydroxy-3,5,5,7a-tetramethyl-4,6,6a,7-tetrahydro-3bH-cyclopenta[a]pentalen-1-one
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78442270ChemSpider