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CHEBI:218167 - Reveromycin B

ChEBI IDCHEBI:218167
ChEBI NameReveromycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC36H52O11
Net Charge0
Average Mass660.801
Monoisotopic Mass660.35096
SMILESCCCC[C@]1([C@H](/C=C/C(C)=C/C(=O)O)OC(=O)CCC(=O)O)CCC2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O1
InChIInChI=1S/C36H52O11/c1-6-7-19-35(30(14-10-25(3)23-33(42)43)45-34(44)17-16-32(40)41)21-22-36(47-35)20-18-27(5)29(46-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36?/m0/s1
InChIKeyXVFQIVPMOPJEIO-CPHBZNGZSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (1429227)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin B (CHEBI:218167) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(2E,4S,5S,6E,8E)-10-[(2R,8S,9R)-2-butyl-2-[(1S,2E,4E)-5-carboxy-1-(3-carboxypropanoyloxy)-4-methylpenta-2,4-dienyl]-8-methyl-1,10-dioxaspiro[4.5]decan-9-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
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78437594ChemSpider