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CHEBI:207047 - Lagunapyrone E

ChEBI IDCHEBI:207047
ChEBI NameLagunapyrone E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H56O5
Net Charge0
Average Mass568.839
Monoisotopic Mass568.41277
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(O)[C@@H](C)c1ccc(CCCCC)c(=O)o1
InChIInChI=1S/C36H56O5/c1-10-12-13-17-31-19-21-33(41-36(31)40)30(9)35(39)28(7)16-14-15-24(3)22-26(5)23-25(4)18-20-32(37)29(8)34(38)27(6)11-2/h11,15-16,18-19,21,23,29-30,32,34-35,37-39H,10,12-14,17,20,22H2,1-9H3/b24-15+,25-18+,26-23+,27-11+,28-16+/t29-,30+,32-,34-,35?/m1/s1
InChIKeyUJCQIRRRRJVGBE-MBHWCTBHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies MP131-18 (ncbitaxon:1857892) - PubMed (28186197)
ChEBI Ontology
Outgoing Relation(s)
Lagunapyrone E (CHEBI:207047) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-pentyl-6-[(2R,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
61708542ChemSpider