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CHEBI:193177 - Aflatoxin GM1

ChEBI IDCHEBI:193177
ChEBI NameAflatoxin GM1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H12O8
Net Charge0
Average Mass344.275
Monoisotopic Mass344.05322
SMILESCOc1cc2c(c3oc(=O)c4c(c13)CCOC4=O)C1(O)C=COC1O2
InChIInChI=1S/C17H12O8/c1-21-8-6-9-12(17(20)3-5-23-16(17)24-9)13-10(8)7-2-4-22-14(18)11(7)15(19)25-13/h3,5-6,16,20H,2,4H2,1H3
InChIKeyQSHBSBLCKIPCKO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
ChEBI Ontology
Outgoing Relation(s)
Aflatoxin GM1 (CHEBI:193177) is a coumarins (CHEBI:23403)
IUPAC Name 
3-hydroxy-11-methoxy-6,8,16,20-tetraoxapentacyclo[10.8.0.02,9.03,7.013,18]icosa-1,4,9,11,13(18)-pentaene-17,19-dione
Manual XrefsDatabases
HMDB0030477HMDB
35013206ChemSpider
Registry NumbersSources
CAS:23532-00-5ChemIDplus