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CHEBI:222346 - Xiamycin

ChEBI IDCHEBI:222346
ChEBI NameXiamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H25NO3
Net Charge0
Average Mass363.457
Monoisotopic Mass363.18344
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c(cc3CC[C@@H]12)nc1ccccc14
InChIInChI=1S/C23H25NO3/c1-22-10-9-20(25)23(2,21(26)27)19(22)8-7-13-11-18-15(12-16(13)22)14-5-3-4-6-17(14)24-18/h3-6,11-12,19-20,24-25H,7-10H2,1-2H3,(H,26,27)/t19-,20+,22-,23+/m1/s1
InChIKeyXUTJPVCJXVRRLB-SKWRMQMOSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20880706)
ChEBI Ontology
Outgoing Relation(s)
Xiamycin (CHEBI:222346) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12-hexaene-17-carboxylic acid
Manual XrefsDatabases
26364073ChemSpider