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CHEBI:191009 - 7-ethylcamptothecin

Default Structure
ChEBI IDCHEBI:191009
ChEBI Name7-ethylcamptothecin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H20N2O4
Net Charge0
Average Mass376.412
Monoisotopic Mass376.14231
SMILESCCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChIInChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1
InChIKeyMYQKIWCVEPUPIL-QFIPXVFZSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) INS-1 cell (BTO:0002135) MetaboLights (MTBLS3963)
ChEBI Ontology
Outgoing Relation(s)
7-ethylcamptothecin (CHEBI:191009) is a pyranoindolizinoquinoline (CHEBI:48626)
IUPAC Name 
(19S)-10,19-diethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
Manual XrefsDatabases
113190ChemSpider
Registry NumbersSources
CAS:78287-27-1ChemIDplus