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CHEBI:198295 - Xiamycin methyl ester

ChEBI IDCHEBI:198295
ChEBI NameXiamycin methyl ester
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO3
Net Charge0
Average Mass377.484
Monoisotopic Mass377.19909
SMILESCOC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)c3cc4c(cc3CC[C@@H]12)nc1ccccc14
InChIInChI=1S/C24H27NO3/c1-23-11-10-21(26)24(2,22(27)28-3)20(23)9-8-14-12-19-16(13-17(14)23)15-6-4-5-7-18(15)25-19/h4-7,12-13,20-21,25-26H,8-11H2,1-3H3/t20-,21+,23-,24+/m1/s1
InChIKeyQGSPVLSFRSZVTG-JSRBNTPPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (20880706)
ChEBI Ontology
Outgoing Relation(s)
Xiamycin methyl ester (CHEBI:198295) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (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-carboxylate
Manual XrefsDatabases
26363170ChemSpider