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CHEBI:226995 - Pentalenolactone B

ChEBI IDCHEBI:226995
ChEBI NamePentalenolactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H16O5
Net Charge0
Average Mass276.288
Monoisotopic Mass276.09977
SMILESC=C1C[C@@]23[C@H](C=C(C(=O)O)[C@@H]2COC(=O)[C@]32CO2)[C@@H]1C
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/h3,8,10-11H,1,4-6H2,2H3,(H,16,17)/t8-,10-,11+,14-,15-/m1/s1
InChIKeyVADASBCEQZMSJP-UJJBCWTCSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1021/jo00029a012)
ChEBI Ontology
Outgoing Relation(s)
Pentalenolactone B (CHEBI:226995) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1R,4aR,6aR,7S,9aR)-7-methyl-8-methylidene-2-oxospiro[4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-1,2'-oxirane]-5-carboxylic acid
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78439821ChemSpider