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CHEBI:227182 - Xiamycin E

ChEBI IDCHEBI:227182
ChEBI NameXiamycin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H25NO4
Net Charge0
Average Mass391.467
Monoisotopic Mass391.17836
SMILESCOC(=O)[C@]1(C)[C@@H](O)CC[C@]2(C)c3cc4c(cc3C(=O)C[C@@H]12)nc1ccccc14
InChIInChI=1S/C24H25NO4/c1-23-9-8-21(27)24(2,22(28)29-3)20(23)12-19(26)15-11-18-14(10-16(15)23)13-6-4-5-7-17(13)25-18/h4-7,10-11,20-21,25,27H,8-9,12H2,1-3H3/t20-,21+,23-,24+/m1/s1
InChIKeyYSJQFTPGPPBWEH-JSRBNTPPSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (26698879)
ChEBI Ontology
Outgoing Relation(s)
Xiamycin E (CHEBI:227182) is a diterpenoid (CHEBI:23849)
IUPAC Name 
methyl (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-carboxylate
Manual XrefsDatabases
58196473ChemSpider