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CHEBI:209417 - 30-hydroxyrifamycin W hemiacetal

ChEBI IDCHEBI:209417
ChEBI Name30-hydroxyrifamycin W hemiacetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H43NO12
Net Charge0
Average Mass669.724
Monoisotopic Mass669.27853
SMILESC/C1=C\C2C(O)O[C@@H]([C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/CO)C(=O)NC3=CC(=O)c4c(c(O)c(C)c(O)c4C1=O)C3=O)[C@H](C)[C@H]2O
InChIInChI=1S/C35H43NO12/c1-13-8-7-9-19(12-37)34(46)36-21-11-22(38)23-24(30(43)16(4)31(44)25(23)32(21)45)27(40)14(2)10-20-29(42)18(6)33(48-35(20)47)17(5)28(41)15(3)26(13)39/h7-11,13,15,17-18,20,26,28-29,33,35,37,39,41-44,47H,12H2,1-6H3,(H,36,46)/b8-7+,14-10+,19-9-/t13-,15+,17+,18+,20?,26-,28+,29+,33-,35?/m0/s1
InChIKeyNZERIUXDYBBUIR-XPIOALIXSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei S699 (ncbitaxon:713604) - PubMed (30714736)
ChEBI Ontology
Outgoing Relation(s)
30-hydroxyrifamycin W hemiacetal (CHEBI:209417) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(2E,16Z,18E,20S,21S,22R,23R,24R,25S,28R,29R)-6,8,21,23,27,28-hexahydroxy-16-(hydroxymethyl)-3,7,20,22,24,29-hexamethyl-26-oxa-14-azatetracyclo[23.2.2.19,13.05,10]triaconta-2,5(10),6,8,12,16,18-heptaene-4,11,15,30-tetrone