EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225138 - 30-hydroxyrifamycin W

ChEBI IDCHEBI:225138
ChEBI Name30-hydroxyrifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H45NO12
Net Charge0
Average Mass671.740
Monoisotopic Mass671.29418
SMILESC/C1=C/[C@@H](CO)[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/C35H45NO12/c1-14-8-7-9-20(12-37)35(48)36-22-11-23(39)24-25(32(45)19(6)33(46)26(24)34(22)47)28(41)15(2)10-21(13-38)31(44)18(5)30(43)17(4)29(42)16(3)27(14)40/h7-11,14,16-18,21,27,29-31,37-38,40,42-46H,12-13H2,1-6H3,(H,36,48)/b8-7+,15-10-,20-9-/t14-,16+,17-,18+,21-,27-,29-,30-,31+/m0/s1
InChIKeyIAOQDOADNPZWMS-UGAUXQCLSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (7319930)
ChEBI Ontology
Outgoing Relation(s)
30-hydroxyrifamycin W (CHEBI:225138) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7Z,9S,10S,11S,12R,13S,14S,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-9,21-bis(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
78443296ChemSpider