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CHEBI:221132 - Reductoleptomycin A

Default Structure
ChEBI IDCHEBI:221132
ChEBI NameReductoleptomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H48O5
Net Charge0
Average Mass512.731
Monoisotopic Mass512.35017
SMILESCC(/C=C\CC(C)/C=C(C)\C=C\C1OC(=O)C=CC1C)=C/C(C)C(=O)C(C)C(O)C(C)C/C(C)=C\CO
InChIInChI=1S/C32H48O5/c1-21(18-23(3)12-14-29-25(5)13-15-30(34)37-29)10-9-11-22(2)19-26(6)31(35)28(8)32(36)27(7)20-24(4)16-17-33/h9,11-16,18-19,21,25-29,32-33,36H,10,17,20H2,1-8H3/b11-9-,14-12+,22-19-,23-18-,24-16-
InChIKeyLMXMVUQKOHQTKA-GKFFAQMLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8501010)
ChEBI Ontology
Outgoing Relation(s)
Reductoleptomycin A (CHEBI:221132) is a diterpene lactone (CHEBI:49193)
IUPAC Name 
2-[(1E,3Z,7Z,9Z,17Z)-14,19-dihydroxy-3,5,9,11,13,15,17-heptamethyl-12-oxononadeca-1,3,7,9,17-pentaenyl]-3-methyl-2,3-dihydropyran-6-one
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78444906ChemSpider