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CHEBI:199636 - Acrostalidic acid

ChEBI IDCHEBI:199636
ChEBI NameAcrostalidic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H22O4
Net Charge0
Average Mass278.348
Monoisotopic Mass278.15181
SMILESC[C@]12CCC[C@](C)(C(=O)O)[C@@H]1C=C[C@H]1COC(=O)C[C@@H]12
InChIInChI=1S/C16H22O4/c1-15-6-3-7-16(2,14(18)19)12(15)5-4-10-9-20-13(17)8-11(10)15/h4-5,10-12H,3,6-9H2,1-2H3,(H,18,19)/t10-,11-,12+,15+,16-/m0/s1
InChIKeyQZDLOWBWMWAWPV-KSMPYDNASA-N
Species of MetaboliteComponentSourceComments
Acrostalagmus (ncbitaxon:461148) - DOI (10.1039/p19760002407)
ChEBI Ontology
Outgoing Relation(s)
Acrostalidic acid (CHEBI:199636) is a organic heterotricyclic compound (CHEBI:26979)
Acrostalidic acid (CHEBI:199636) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(4aR,6aR,7S,10aR,10bS)-7,10a-dimethyl-2-oxo-1,4,4a,6a,8,9,10,10b-octahydrobenzo[]isochromene-7-carboxylic acid
Manual XrefsDatabases
10366471ChemSpider