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CHEBI:211416 - Pentalenolactone A

ChEBI IDCHEBI:211416
ChEBI NamePentalenolactone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESCC1=C(C)[C@H]2C=C(C(=O)O)[C@@H]3COC(=O)[C@]4(CO4)[C@]23C1
InChIInChI=1S/C15H16O5/c1-7-4-14-10(8(7)2)3-9(12(16)17)11(14)5-19-13(18)15(14)6-20-15/h3,10-11H,4-6H2,1-2H3,(H,16,17)/t10-,11+,14-,15-/m1/s1
InChIKeyUUZXSMQFMLHTPW-BAESOJJISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5808206)
ChEBI Ontology
Outgoing Relation(s)
Pentalenolactone A (CHEBI:211416) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1R,4aR,6aR,9aR)-7,8-dimethyl-2-oxospiro[4,4a,6a,9-tetrahydropentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
Manual XrefsDatabases
28424082ChemSpider