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CHEBI:168970 - Dehydrocyanaropicrin

ChEBI IDCHEBI:168970
ChEBI NameDehydrocyanaropicrin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O6
Net Charge0
Average Mass344.363
Monoisotopic Mass344.12599
SMILESC=C(CO)C(=O)OC1CC(=C)C2CC(=O)C(=C)C2C2OC(=O)C(=C)C12
InChIInChI=1S/C19H20O6/c1-8-5-14(24-18(22)9(2)7-20)16-11(4)19(23)25-17(16)15-10(3)13(21)6-12(8)15/h12,14-17,20H,1-7H2
InChIKeyMSTZNVVCBOEAGA-UHFFFAOYSA-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)
Dehydrocyanaropicrin (CHEBI:168970) is a sesquiterpene lactone (CHEBI:37667)
IUPAC Name 
(3,6,9-trimethylidene-2,8-dioxo-4,5,6a,7,9a,9b-hexahydro-3aH-azuleno[4,5-b]uran-4-yl) 2-(hydroxymethyl)prop-2-enoate
Manual XrefsDatabases
HMDB0035029HMDB
35013817ChemSpider