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CHEBI:207040 - Lagunapyrone D

ChEBI IDCHEBI:207040
ChEBI NameLagunapyrone D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H50O5
Net Charge0
Average Mass526.758
Monoisotopic Mass526.36582
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(CC)c(=O)o1
InChIInChI=1S/C33H50O5/c1-10-24(6)31(35)26(8)29(34)17-15-22(4)20-23(5)19-21(3)13-12-14-25(7)32(36)27(9)30-18-16-28(11-2)33(37)38-30/h10,13-16,18,20,26-27,29,31-32,34-36H,11-12,17,19H2,1-9H3/b21-13+,22-15+,23-20+,24-10+,25-14+/t26-,27+,29-,31-,32?/m1/s1
InChIKeyAYFKSLKGEQWNNM-ZIPORULPSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies MP131-18 (ncbitaxon:1857892) - PubMed (28186197)
ChEBI Ontology
Outgoing Relation(s)
Lagunapyrone D (CHEBI:207040) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-ethyl-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
61708541ChemSpider