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CHEBI:209376 - Asperpene B

ChEBI IDCHEBI:209376
ChEBI NameAsperpene B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@@]1(CO)C[C@H]2C=C(C(=O)O)[C@@H]3CC[C@]3(C)[C@H]2C1
InChIInChI=1S/C15H22O3/c1-14(8-16)6-9-5-10(13(17)18)11-3-4-15(11,2)12(9)7-14/h5,9,11-12,16H,3-4,6-8H2,1-2H3,(H,17,18)/t9-,11+,12+,14-,15+/m1/s1
InChIKeyDPGWEFMANROYDO-ONAWRNRTSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (30486303)
ChEBI Ontology
Outgoing Relation(s)
Asperpene B (CHEBI:209376) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(2aR,4aS,6R,7aS,7bR)-6-(hydroxymethyl)-6,7b-dimethyl-2,2a,4a,5,7,7a-hexahydro-1H-cyclobuta[e]indene-3-carboxylic acid
Manual XrefsDatabases
71048665ChemSpider