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CHEBI:174642 - 3-Dehydronobilin

ChEBI IDCHEBI:174642
ChEBI Name3-Dehydronobilin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC20H24O5
Net Charge0
Average Mass344.407
Monoisotopic Mass344.16237
SMILESC=C1C(=O)OC2/C=C(\C)C(=O)C/C=C(\C)CC(OC(=O)/C(C)=C\C)C12
InChIInChI=1S/C20H24O5/c1-6-12(3)19(22)24-16-9-11(2)7-8-15(21)13(4)10-17-18(16)14(5)20(23)25-17/h6-7,10,16-18H,5,8-9H2,1-4H3/b11-7+,12-6-,13-10+
InChIKeyFKDIIXZIKCNXAT-QLDBJWRKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Dehydronobilin (CHEBI:174642) is a germacranolide (CHEBI:73011)
IUPAC Name 
[(6E,10E)-6,10-dimethyl-3-methylidene-2,9-dioxo-4,5,8,11a-tetrahydro-3aH-cyclodeca[b]uran-4-yl] (Z)-2-methylbut-2-enoate
Manual XrefsDatabases
HMDB0036691HMDB
35014203ChemSpider