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CHEBI:212599 - Pentalenolactone I (Pentalenolactone C, AA-57)

ChEBI IDCHEBI:212599
ChEBI NamePentalenolactone I (Pentalenolactone C, AA-57)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17ClO5
Net Charge0
Average Mass312.749
Monoisotopic Mass312.07645
SMILESCC1=C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]3(O)CCl)[C@@H]1C
InChIInChI=1S/C15H17ClO5/c1-7-4-14-10(8(7)2)3-9(12(17)18)11(14)5-21-13(19)15(14,20)6-16/h3-4,8,10-11,20H,5-6H2,1-2H3,(H,17,18)/t8-,10-,11+,14-,15-/m1/s1
InChIKeyJIBVJJZCSYJNBC-UJJBCWTCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (690006)
ChEBI Ontology
Outgoing Relation(s)
Pentalenolactone I (Pentalenolactone C, AA-57) (CHEBI:212599) is a terpene lactone (CHEBI:37668)
IUPAC Name 
(1S,4aR,6aR,7S,9aS)-1-(chloromethyl)-1-hydroxy-7,8-dimethyl-2-oxo-4,4a,6a,7-tetrahydropentaleno[1,6a-c]pyran-5-carboxylic acid