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CHEBI:209444 - 27,28-epoxy-28-desmethylrifamycin W

ChEBI IDCHEBI:209444
ChEBI Name27,28-epoxy-28-desmethylrifamycin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41NO10
Net Charge0
Average Mass623.699
Monoisotopic Mass623.27305
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)C2OC2/C=C(\C)C(=O)c2c(O)c(C)c(O)c3c2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C34H41NO10/c1-13-9-8-10-14(2)34(44)35-20-12-21(36)23-24(30(41)18(6)31(42)25(23)32(20)43)27(38)15(3)11-22-33(45-22)19(7)29(40)17(5)28(39)16(4)26(13)37/h8-13,16-17,19,22,26,28-29,33,37,39-42H,1-7H3,(H,35,44)/b9-8+,14-10-,15-11+/t13-,16+,17+,19-,22?,26-,28+,29-,33?/m0/s1
InChIKeyMTXOORLVWYTJID-VIDMMWRBSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
27,28-epoxy-28-desmethylrifamycin W (CHEBI:209444) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(7E,12S,13S,14R,15R,16R,17S,18S,19E,21Z)-2,4,13,15,17-pentahydroxy-3,7,12,14,16,18,22-heptamethyl-10-oxa-24-azatetracyclo[23.3.1.05,28.09,11]nonacosa-1,3,5(28),7,19,21,25-heptaene-6,23,27,29-tetrone