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CHEBI:200979 - Lagunapyrone B

ChEBI IDCHEBI:200979
ChEBI NameLagunapyrone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC34H52O5
Net Charge0
Average Mass540.785
Monoisotopic Mass540.38147
SMILESC/C=C(\C)[C@@H](O)[C@H](C)[C@H](O)C/C=C(C)/C=C(\C)C/C(C)=C/C/C=C(\C)[C@@H](O)[C@@H](C)c1ccc(CCC)c(=O)o1
InChIInChI=1S/C34H52O5/c1-10-13-29-17-19-31(39-34(29)38)28(9)33(37)26(7)15-12-14-22(3)20-24(5)21-23(4)16-18-30(35)27(8)32(36)25(6)11-2/h11,14-17,19,21,27-28,30,32-33,35-37H,10,12-13,18,20H2,1-9H3/b22-14+,23-16+,24-21+,25-11+,26-15+/t27-,28+,30-,32-,33-/m1/s1
InChIKeyOTNYCNDIGKWKTO-KOJVWQQKSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - DOI (10.1016/0040-4039(96)00014-7)
ChEBI Ontology
Outgoing Relation(s)
Lagunapyrone B (CHEBI:200979) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-propyl-6-[(2R,3S,4E,7E,10E,12E,15R,16R,17S,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one
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8612729ChemSpider