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CHEBI:227192 - Xiamycin C

ChEBI IDCHEBI:227192
ChEBI NameXiamycin C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO4
Net Charge0
Average Mass379.456
Monoisotopic Mass379.17836
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c(cc3[C@@H](O)C[C@@H]12)nc1ccccc14
InChIInChI=1S/C23H25NO4/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/h3-6,9-10,18-20,24-26H,7-8,11H2,1-2H3,(H,27,28)/t18-,19+,20-,22+,23-/m0/s1
InChIKeyZTZLJSSMDDCXOV-SSQPMERFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26698879)
ChEBI Ontology
Outgoing Relation(s)
Xiamycin C (CHEBI:227192) is a 6-hydroxy steroid (CHEBI:36849)
IUPAC Name 
(14S,16R,17S,18S,21S)-14,18-dihydroxy-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
58196471ChemSpider