Muxiangrin I (CHEBI:168349)

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	Muxiangrin I

ChEBI ID	CHEBI:168349

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H22O6

Net Charge

Average Mass

394.423

Monoisotopic Mass

394.14164

InChI

InChI=1S/C23H22O6/c1-11-19(26)18-15(24)10-17(28-21(18)12(2)20(11)27-5)14-8-13-6-7-23(3,4)29-22(13)16(25)9-14/h6-10,25-26H,1-5H3

InChIKey

PVTASJQBVPOLER-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C(O)=CC(=C2)C=3OC4=C(C(O)=C(C(OC)=C4C)C)C(=O)C3)(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	Muxiangrin I (CHEBI:168349) is a extended flavonoid (CHEBI:71037)

IUPAC Name

5-hydroxy-2-(8-hydroxy-2,2-dimethylchromen-6-yl)-7-methoxy-6,8-dimethylchromen-4-one