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CHEBI:214304 - Reveromycin A 4' methyl ester

ChEBI IDCHEBI:214304
ChEBI NameReveromycin A 4' methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H52O11
Net Charge0
Average Mass672.812
Monoisotopic Mass672.35096
SMILESCCCC[C@@]1(OC(=O)/C=C/C(=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/C37H52O11/c1-7-8-20-36(48-35(44)18-17-34(43)45-6)22-23-37(47-31(36)15-11-26(3)24-33(41)42)21-19-28(5)30(46-37)14-10-25(2)9-13-29(38)27(4)12-16-32(39)40/h9-13,15-18,24,27-31,38H,7-8,14,19-23H2,1-6H3,(H,39,40)(H,41,42)/b13-9+,15-11+,16-12+,18-17+,25-10+,26-24+/t27-,28-,29-,30+,31-,36+,37-/m0/s1
InChIKeyMXBUPKVCYGAZLR-HHFXENKDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21152660)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin A 4' methyl ester (CHEBI:214304) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-3-butyl-2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-3-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-9-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
Manual XrefsDatabases
78439849ChemSpider