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CHEBI:219312 - Lagunapyrone C

ChEBI IDCHEBI:219312
ChEBI NameLagunapyrone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H54O5
Net Charge0
Average Mass554.812
Monoisotopic Mass554.39712
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(CCCC)c(=O)o1
InChIInChI=1S/C35H54O5/c1-10-12-16-30-18-20-32(40-35(30)39)29(9)34(38)27(7)15-13-14-23(3)21-25(5)22-24(4)17-19-31(36)28(8)33(37)26(6)11-2/h11,14-15,17-18,20,22,28-29,31,33-34,36-38H,10,12-13,16,19,21H2,1-9H3/b23-14+,24-17+,25-22+,26-11+,27-15+/t28-,29+,31-,33-,34-/m1/s1
InChIKeyKLNNMQFRUBBDKV-DYOGVVGJSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - DOI (10.1016/0040-4039(96)00014-7)
ChEBI Ontology
Outgoing Relation(s)
Lagunapyrone C (CHEBI:219312) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-butyl-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
Manual XrefsDatabases
78438180ChemSpider