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CHEBI:214680 - Lagunapyrone A

ChEBI IDCHEBI:214680
ChEBI NameLagunapyrone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
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(C)c(=O)o1
InChIInChI=1S/C32H48O5/c1-10-23(5)30(34)26(8)28(33)16-14-21(3)19-22(4)18-20(2)12-11-13-24(6)31(35)27(9)29-17-15-25(7)32(36)37-29/h10,12-15,17,19,26-28,30-31,33-35H,11,16,18H2,1-9H3/b20-12+,21-14+,22-19+,23-10+,24-13+/t26-,27+,28-,30-,31-/m1/s1
InChIKeyGIMZZVKKCVKWLL-JOKYFBJLSA-N
Species of MetaboliteComponentSourceComments
Actinomycesspecies (ncbitaxon:29317) - DOI (10.1016/0040-4039(96)00014-7)
ChEBI Ontology
Outgoing Relation(s)
Lagunapyrone A (CHEBI:214680) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
3-methyl-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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78438591ChemSpider