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CHEBI:228847 - 9-Methoxycamptothecin

ChEBI IDCHEBI:228847
ChEBI Name9-Methoxycamptothecin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18N2O5
Net Charge0
Average Mass378.384
Monoisotopic Mass378.12157
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)cccc3nc2-1
InChIInChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
InChIKeyXVMZDZFTCKLZTF-NRFANRHFSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
ChEBI Ontology
Outgoing Relation(s)
9-Methoxycamptothecin (CHEBI:228847) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name 
(19S)-19-ethyl-19-hydroxy-8-methoxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Manual XrefsDatabases
110207ChemSpider