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CHEBI:212840 - Reveromycin D 4' methyl ester

ChEBI IDCHEBI:212840
ChEBI NameReveromycin D 4' methyl ester
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H54O11
Net Charge0
Average Mass686.839
Monoisotopic Mass686.36661
SMILESCCCCC[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/C38H54O11/c1-7-8-9-21-37(49-36(45)19-18-35(44)46-6)23-24-38(48-32(37)16-12-27(3)25-34(42)43)22-20-29(5)31(47-38)15-11-26(2)10-14-30(39)28(4)13-17-33(40)41/h10-14,16-19,25,28-32,39H,7-9,15,20-24H2,1-6H3,(H,40,41)(H,42,43)/b14-10+,16-12+,17-13+,19-18+,26-11+,27-25+/t28-,29-,30-,31+,32-,37+,38-/m0/s1
InChIKeyAMAZPXYDECRRKB-NMLKODNJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (21152660)
ChEBI Ontology
Outgoing Relation(s)
Reveromycin D 4' methyl ester (CHEBI:212840) 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-[(E)-4-methoxy-4-oxobut-2-enoyl]oxy-9-methyl-3-pentyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid
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78439784ChemSpider