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CHEBI:169774 - Cinereain

ChEBI IDCHEBI:169774
ChEBI NameCinereain
Stars
Last Modified23 January 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H21N3O3
Net Charge0
Average Mass327.384
Monoisotopic Mass327.15829
SMILESCC(C)/C=C1/NC(=O)C(C(C)C)n2c1nc1c(c2=O)C=CC=CO1
InChIInChI=1S/C18H21N3O3/c1-10(2)9-13-15-20-17-12(7-5-6-8-24-17)18(23)21(15)14(11(3)4)16(22)19-13/h5-11,14H,1-4H3,(H,19,22)/b13-9+
InChIKeyCCHUDPANZXHQCS-UKTHLTGXSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Cinereain (CHEBI:169774) is a organic heterotricyclic compound (CHEBI:26979)
IUPAC Name 
(4E)-4-(2-methylpropylidene)-7-propan-2-yl-15-oxa-2,5,8-triazatricyclo[8.5.0.03,8]pentadeca-1(10),2,11,13-tetraene-6,9-dione
Manual XrefsDatabases
HMDB0035218HMDB
35013877ChemSpider