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CHEBI:212279 - 16-demethyl-34a-dehydroxy rifamycin W

ChEBI IDCHEBI:212279
ChEBI Name16-demethyl-34a-dehydroxy rifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO10
Net Charge0
Average Mass625.715
Monoisotopic Mass625.28870
SMILESC/C1=C/C(C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C1=O)C2=O
InChIInChI=1S/C34H43NO10/c1-14-10-8-9-11-23(37)35-21-13-22(36)24-25(32(43)20(7)33(44)26(24)34(21)45)29(40)16(3)12-15(2)28(39)18(5)31(42)19(6)30(41)17(4)27(14)38/h8-15,17-19,27-28,30-31,38-39,41-44H,1-7H3,(H,35,37)/b10-8+,11-9-,16-12-/t14-,15?,17+,18+,19+,27-,28-,30+,31+/m0/s1
InChIKeyQESARTPORXKNRD-OFPDZIKYSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies TP-A0468 (ncbitaxon:1182970) - PubMed (30530711)
ChEBI Ontology
Outgoing Relation(s)
16-demethyl-34a-dehydroxy rifamycin W (CHEBI:212279) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7Z,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone