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CHEBI:207802 - 19-carbonyl-xiamycin

ChEBI IDCHEBI:207802
ChEBI Name19-carbonyl-xiamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H23NO4
Net Charge0
Average Mass377.440
Monoisotopic Mass377.16271
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)nc1ccccc14
InChIInChI=1S/C23H23NO4/c1-22-8-7-20(26)23(2,21(27)28)19(22)11-18(25)14-10-17-13(9-15(14)22)12-5-3-4-6-16(12)24-17/h3-6,9-10,19-20,24,26H,7-8,11H2,1-2H3,(H,27,28)/t19-,20+,22-,23+/m1/s1
InChIKeyWVXOQWYNERVPNC-SKWRMQMOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (30232534)
ChEBI Ontology
Outgoing Relation(s)
19-carbonyl-xiamycin (CHEBI:207802) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-18-hydroxy-17,21-dimethyl-14-oxo-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
71048653ChemSpider