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CHEBI:211264 - Reveromycin H

ChEBI IDCHEBI:211264
ChEBI NameReveromycin H
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H50O11
Net Charge0
Average Mass658.785
Monoisotopic Mass658.33531
SMILESCCCC[C@@]1(OC(=O)/C=C/C(=O)O)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/C36H50O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-17,23,26-30,37H,6-7,13,18-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,17-16+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1
InChIKeyQTRMOXKZWPLCFC-OTBVCFTHSA-N
Species of MetaboliteComponentSourceComments
Saccharomyces cerevisiae (ncbitaxon:4932) - PubMed (21152660)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin H (CHEBI:211264) 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)-3-carboxyprop-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
78439725ChemSpider