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CHEBI:218014 - Cerrenin B

ChEBI IDCHEBI:218014
ChEBI NameCerrenin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@H]1C(=O)C=C2[C@@]1(C)[C@@H](O)[C@H]1CC(C)(C)C[C@@]21O
InChIInChI=1S/C15H22O3/c1-8-10(16)5-11-14(8,4)12(17)9-6-13(2,3)7-15(9,11)18/h5,8-9,12,17-18H,6-7H2,1-4H3/t8-,9-,12+,14+,15+/m1/s1
InChIKeyPHZRVCXTBKNJFU-NHYBKEFLSA-N
Species of MetaboliteComponentSourceComments
Cerrenaspecies A593 (ncbitaxon:1814219) - PubMed (29981395)
ChEBI Ontology
Outgoing Relation(s)
Cerrenin B (CHEBI:218014) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1S,3bS,6aR,7S,7aS)-3b,7-dihydroxy-1,5,5,7a-tetramethyl-4,6,6a,7-tetrahydro-1H-cyclopenta[a]pentalen-2-one