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CHEBI:135002 - irofulven

ChEBI IDCHEBI:135002
ChEBI Nameirofulven
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC15H18O3
Net Charge0
Average Mass246.306
Monoisotopic Mass246.12559
SMILESCC1=C(CO)C2=C(C)C3(CC3)[C@@](C)(O)C(=O)C2=C1
InChIInChI=1S/C15H18O3/c1-8-6-10-12(11(8)7-16)9(2)15(4-5-15)14(3,18)13(10)17/h6,16,18H,4-5,7H2,1-3H3/t14-/m0/s1
InChIKeyNICJCIQSJJKZAH-AWEZNQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
irofulven (CHEBI:135002) is a cyclohexenones (CHEBI:48953)
Synonyms  Source
6-hydroxymethylacylfulveneDrugCentral
MGI-114DrugCentral
(-)-IrofulvenDrugCentral
Manual XrefsDatabases
1483DrugCentral
Registry NumbersSources
CAS:158440-71-2DrugCentral