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CHEBI:225114 - 28-dehydroxymethyl-28,30-dihydroxyrifamycin W

Default Structure
ChEBI IDCHEBI:225114
ChEBI Name28-dehydroxymethyl-28,30-dihydroxyrifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H43NO12
Net Charge0
Average Mass657.713
Monoisotopic Mass657.27853
SMILESC/C1=C/[C@@H](O)[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(/CO)C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C1=O)C2=O
InChIInChI=1S/C34H43NO12/c1-13-8-7-9-19(12-36)34(47)35-20-11-21(37)23-24(31(44)18(6)32(45)25(23)33(20)46)27(40)14(2)10-22(38)30(43)17(5)29(42)16(4)28(41)15(3)26(13)39/h7-11,13,15-17,22,26,28-30,36,38-39,41-45H,12H2,1-6H3,(H,35,47)/b8-7+,14-10-,19-9-/t13-,15+,16-,17+,22+,26-,28-,29-,30+/m0/s1
InChIKeyMUMTYXMHUQYNAX-YHDZRBOXSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7319930)
ChEBI Ontology
Outgoing Relation(s)
28-dehydroxymethyl-28,30-dihydroxyrifamycin W (CHEBI:225114) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7Z,9R,10R,11R,12S,13S,14S,15R,16S,17S,18E,20Z)-2,4,9,10,12,14,16-heptahydroxy-21-(hydroxymethyl)-3,7,11,13,15,17-hexamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone
Manual XrefsDatabases
78443291ChemSpider