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CHEBI:203978 - Reveromycin M

ChEBI IDCHEBI:203978
ChEBI NameReveromycin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O12
Net Charge0
Average Mass726.860
Monoisotopic Mass726.36153
SMILESCCCCCC[C@@]1(OC(=O)c2coc(C(=O)O)c2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O
InChIInChI=1S/C40H54O12/c1-6-7-8-9-19-39(52-38(48)30-24-33(37(46)47)49-25-30)21-22-40(51-34(39)16-12-27(3)23-36(44)45)20-18-29(5)32(50-40)15-11-26(2)10-14-31(41)28(4)13-17-35(42)43/h10-14,16-17,23-25,28-29,31-32,34,41H,6-9,15,18-22H2,1-5H3,(H,42,43)(H,44,45)(H,46,47)/b14-10+,16-12+,17-13+,26-11+,27-23+/t28-,29-,31-,32+,34-,39+,40-/m0/s1
InChIKeyOWRKEBSRIYDNEP-QQTZMFECSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21152660)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin M (CHEBI:203978) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
4-[[(2S,3R,6S,8R,9S)-8-[(2E,4E,6S,7S,8E)-9-carboxy-6-hydroxy-3,7-dimethylnona-2,4,8-trienyl]-2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-3-hexyl-9-methyl-1,7-dioxaspiro[5.5]undecan-3-yl]oxycarbonyl]uran-2-carboxylic acid
Manual XrefsDatabases
78439672ChemSpider