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CHEBI:169074 - Atrovirisidone

Default Structure
ChEBI IDCHEBI:169074
ChEBI NameAtrovirisidone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O7
Net Charge0
Average Mass426.465
Monoisotopic Mass426.16785
SMILESCOc1c(O)c(CC=C(C)C)c(CC=C(C)C)c2c1Oc1cc(O)cc(O)c1C(=O)O2
InChIInChI=1S/C24H26O7/c1-12(2)6-8-15-16(9-7-13(3)4)21-23(22(29-5)20(15)27)30-18-11-14(25)10-17(26)19(18)24(28)31-21/h6-7,10-11,25-27H,8-9H2,1-5H3
InChIKeyKGIATYCAIYWYED-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)
Atrovirisidone (CHEBI:169074) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
2,7,9-trihydroxy-1-methoxy-3,4-bis(3-methylbut-2-enyl)benzo[b][1,4]benzodioxepin-6-one
Manual XrefsDatabases
8517864ChemSpider
HMDB0036982HMDB