Atrovirisidone (CHEBI:169074)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Atrovirisidone

ChEBI ID	CHEBI:169074

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H26O7

Net Charge

Average Mass

426.465

Monoisotopic Mass

426.16785

InChI

InChI=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

InChIKey

KGIATYCAIYWYED-UHFFFAOYSA-N

SMILES

O1C=2C(=C(CC=C(C)C)C(O)=C(OC)C2OC=3C(C1=O)=C(O)C=C(O)C3)CC=C(C)C

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	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