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CHEBI:209438 - 28-desmethyl-28-hydroxyrifamycin W

ChEBI IDCHEBI:209438
ChEBI Name28-desmethyl-28-hydroxyrifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO11
Net Charge0
Average Mass641.714
Monoisotopic Mass641.28361
SMILESC/C1=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C(O)/C=C(\C)C(=O)c2c(O)c(C)c(O)c3c2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C34H43NO11/c1-13-9-8-10-14(2)34(46)35-20-12-21(36)23-24(31(43)19(7)32(44)25(23)33(20)45)27(39)15(3)11-22(37)30(42)18(6)29(41)17(5)28(40)16(4)26(13)38/h8-13,16-18,22,26,28-30,37-38,40-44H,1-7H3,(H,35,46)/b9-8+,14-10-,15-11+/t13-,16+,17+,18-,22?,26-,28+,29-,30+/m0/s1
InChIKeyLRXGCMQSLFUIOE-ZGMADMOISA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
28-desmethyl-28-hydroxyrifamycin W (CHEBI:209438) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7E,10R,11S,12S,13R,14R,15R,16S,17S,18E,20Z)-2,4,9,10,12,14,16-heptahydroxy-3,7,11,13,15,17,21-heptamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone