Cycloartocarpin A (CHEBI:187603)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Cycloartocarpin A

ChEBI ID	CHEBI:187603

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H26O6

Net Charge

Average Mass

434.488

Monoisotopic Mass

434.17294

InChI

InChI=1S/C26H26O6/c1-13(2)6-8-16-18(27)12-21-22(24(16)28)25(29)23-20(10-14(3)4)31-19-11-15(30-5)7-9-17(19)26(23)32-21/h6-13,20,27-28H,1-5H3/b8-6+

InChIKey

FUOITKFXHPXSCA-SOFGYWHQSA-N

SMILES

O1C(C2=C(OC3=C(C2=O)C(O)=C(C(O)=C3)/C=C/C(C)C)C4=C1C=C(OC)C=C4)C=C(C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Cycloartocarpin A (CHEBI:187603) is a extended flavonoid (CHEBI:71037)

IUPAC Name

8,10-dihydroxy-3-methoxy-9-[(E)-3-methylbut-1-enyl]-6-(2-methylprop-1-enyl)-6H-chromeno[4,3-b]chromen-7-one