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CHEBI:208075 - Vineomycin E

ChEBI IDCHEBI:208075
ChEBI NameVineomycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H34O12
Net Charge0
Average Mass598.601
Monoisotopic Mass598.20503
SMILESC[C@@H]1O[C@H]2O[C@@H]3[C@@H](C)O[C@@H](c4ccc5c(c4O)C(=O)c4ccc(C[C@@](C)(O)CC(=O)O)c(O)c4C5=O)C[C@H]3O[C@H]2C[C@H]1O
InChIInChI=1S/C31H34O12/c1-12-18(32)8-21-30(41-12)43-29-13(2)40-19(9-20(29)42-21)15-6-7-17-24(26(15)36)28(38)16-5-4-14(25(35)23(16)27(17)37)10-31(3,39)11-22(33)34/h4-7,12-13,18-21,29-30,32,35-36,39H,8-11H2,1-3H3,(H,33,34)/t12-,13+,18+,19+,20+,21-,29+,30-,31+/m0/s1
InChIKeyHUYSFHCGVACKBI-FHDLZZSTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31075906)
ChEBI Ontology
Outgoing Relation(s)
Vineomycin E (CHEBI:208075) is a anthraquinone (CHEBI:22580)
IUPAC Name 
(3R)-4-[1,5-dihydroxy-6-[(1R,3S,5S,6R,8S,10R,12R,14R)-6-hydroxy-5,14-dimethyl-2,4,9,13-tetraoxatricyclo[8.4.0.03,8]tetradecan-12-yl]-9,10-dioxoanthracen-2-yl]-3-hydroxy-3-methylbutanoic acid