Tephrowatsin C (CHEBI:168000)

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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	Tephrowatsin C

ChEBI ID	CHEBI:168000

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H24O5

Net Charge

Average Mass

356.418

Monoisotopic Mass

356.16237

InChI

InChI=1S/C21H24O5/c1-21(2,24)10-9-14-18(25-3)12-16(23)19-15(22)11-17(26-20(14)19)13-7-5-4-6-8-13/h4-8,12,17,23-24H,9-11H2,1-3H3

InChIKey

OHGGGSHTYPJICB-UHFFFAOYSA-N

SMILES

O1C=2C(CCC(O)(C)C)=C(OC)C=C(O)C2C(=O)CC1C3=CC=CC=C3

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	Tephrowatsin C (CHEBI:168000) is a flavanones (CHEBI:28863)

IUPAC Name

5-hydroxy-8-(3-hydroxy-3-methylbutyl)-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one