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CHEBI:208081 - Vineomycin F

ChEBI IDCHEBI:208081
ChEBI NameVineomycin F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC31H32O14
Net Charge0
Average Mass628.583
Monoisotopic Mass628.17921
SMILESCC(=O)O[C@H]1O[C@@H]2[C@@H](C)O[C@@H](c3ccc4c(c3O)C(=O)c3ccc(C[C@@](C)(O)CC(=O)O)c(O)c3C4=O)C[C@H]2O[C@H]1CC(=O)O
InChIInChI=1S/C31H32O14/c1-12-29-19(44-20(9-21(33)34)30(45-29)43-13(2)32)8-18(42-12)15-6-7-17-24(26(15)38)28(40)16-5-4-14(25(37)23(16)27(17)39)10-31(3,41)11-22(35)36/h4-7,12,18-20,29-30,37-38,41H,8-11H2,1-3H3,(H,33,34)(H,35,36)/t12-,18-,19-,20+,29-,30+,31-/m1/s1
InChIKeyNLESMJMJAGYDOC-IIVWSVSJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31075906)
ChEBI Ontology
Outgoing Relation(s)
Vineomycin F (CHEBI:208081) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[6-[(2S,3R,4aR,5R,7R,8aR)-3-acetyloxy-2-(carboxymethyl)-5-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrano[3,4-b][1,4]dioxin-7-yl]-1,5-dihydroxy-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid
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