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CHEBI:207809 - 19-methoxyl-xiamycin

ChEBI IDCHEBI:207809
ChEBI Name19-methoxyl-xiamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO4
Net Charge0
Average Mass393.483
Monoisotopic Mass393.19401
SMILESCOC1C[C@H]2[C@](C)(C(=O)O)[C@@H](O)CC[C@]2(C)c2cc3c(cc21)nc1ccccc13
InChIInChI=1S/C24H27NO4/c1-23-9-8-21(26)24(2,22(27)28)20(23)12-19(29-3)15-11-18-14(10-16(15)23)13-6-4-5-7-17(13)25-18/h4-7,10-11,19-21,25-26H,8-9,12H2,1-3H3,(H,27,28)/t19?,20-,21+,23-,24+/m1/s1
InChIKeyPNOCWQUFKGNIIJ-VCFIWWQCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30232534)
ChEBI Ontology
Outgoing Relation(s)
19-methoxyl-xiamycin (CHEBI:207809) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-18-hydroxy-14-methoxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1(13),2,4,6,8,11-hexaene-17-carboxylic acid
Manual XrefsDatabases
71048654ChemSpider