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CHEBI:212066 - Antrodin B

ChEBI IDCHEBI:212066
ChEBI NameAntrodin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1(C)C=C2[C@H](C1)[C@H](O)[C@@]1(C)[C@H](O)[C@@H](O)C[C@@]21C
InChIInChI=1S/C15H24O3/c1-13(2)5-8-9(6-13)14(3)7-10(16)12(18)15(14,4)11(8)17/h6,8,10-12,16-18H,5,7H2,1-4H3/t8-,10-,11-,12+,14-,15-/m0/s1
InChIKeyHORITXDMDFBJCE-ZZOQULRCSA-N
Species of MetaboliteComponentSourceComments
Cerrena albocinnamomea (ncbitaxon:2169404) - PubMed (25704368)
ChEBI Ontology
Outgoing Relation(s)
Antrodin B (CHEBI:212066) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,2S,3aS,6aS,7S,7aS)-3a,5,5,7a-tetramethyl-1,2,3,6,6a,7-hexahydrocyclopenta[b]pentalene-1,2,7-triol
Manual XrefsDatabases
78442337ChemSpider