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CHEBI:212273 - 16-demethylrifamycin W hemiacetal

ChEBI IDCHEBI:212273
ChEBI Name16-demethylrifamycin W hemiacetal
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H41NO11
Net Charge0
Average Mass639.698
Monoisotopic Mass639.26796
SMILESC/C1=C/[C@@H]2C(O)O[C@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C\C(=O)NC3=CC(=O)c4c(c(O)c(C)c(O)c4C1=O)C3=O)[C@@H](C)[C@H]2O
InChIInChI=1S/C34H41NO11/c1-13-9-7-8-10-22(37)35-20-12-21(36)23-24(30(42)16(4)31(43)25(23)32(20)44)27(39)14(2)11-19-29(41)18(6)33(46-34(19)45)17(5)28(40)15(3)26(13)38/h7-13,15,17-19,26,28-29,33-34,38,40-43,45H,1-6H3,(H,35,37)/b9-7+,10-8-,14-11-/t13-,15+,17-,18-,19-,26-,28-,29+,33+,34?/m0/s1
InChIKeyBYHWBALUXLILRL-YVEAHYGRSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies TP-A0468 (ncbitaxon:1182970) - PubMed (30530711)
ChEBI Ontology
Outgoing Relation(s)
16-demethylrifamycin W hemiacetal (CHEBI:212273) is a naphthoquinone (CHEBI:25481)
IUPAC Name 
(1S,2Z,16Z,18E,20S,21S,22R,23S,24S,25R,28R,29S)-6,8,21,23,27,28-hexahydroxy-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