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CHEBI:212627 - Reveromycin E 4'-methyl ester

ChEBI IDCHEBI:212627
ChEBI NameReveromycin E 4'-methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H58O11
Net Charge0
Average Mass702.882
Monoisotopic Mass702.39791
SMILESCCCCCC[C@@]1(OC(=O)CCC(=O)OC)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/C39H58O11/c1-7-8-9-10-22-38(50-37(46)20-19-36(45)47-6)24-25-39(49-33(38)17-13-28(3)26-35(43)44)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)42/h11-15,17-18,26,29-33,40H,7-10,16,19-25H2,1-6H3,(H,41,42)(H,43,44)/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1
InChIKeySTGCMKHFORGKNG-MDOZOVPWSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21152660)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin E 4'-methyl ester (CHEBI:212627) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-3-hexyl-3-(4-methoxy-4-oxobutanoyl)oxy-9-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Manual XrefsDatabases
78439846ChemSpider