12a-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid (CHEBI:192801)

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	12a-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid

ChEBI ID	CHEBI:192801

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H16O9

Net Charge

Average Mass

388.328

Monoisotopic Mass

388.07943

InChI

InChI=1S/C19H16O9/c1-25-12-5-9-11(6-13(12)26-2)27-7-14-19(9,24)17(21)8-3-4-10(20)15(18(22)23)16(8)28-14/h3-6,14,20,24H,7H2,1-2H3,(H,22,23)

InChIKey

OCHPVPSALUKLOM-UHFFFAOYSA-N

SMILES

O1C2C(O)(C=3C(OC2)=CC(OC)=C(OC)C3)C(=O)C4=C1C(=C(O)C=C4)C(O)=O

Metabolite of Species	Details
Phytophthora nicotianae (NCBI:txid4790)	Found in mycelium (BTO:0001436). See: MetaboLights Study

ChEBI Ontology
Outgoing	12a-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid (CHEBI:192801) is a rotenones (CHEBI:72581)

IUPAC Name

9,12a-dihydroxy-2,3-dimethoxy-12-oxo-6,6a-dihydrochromeno[3,4-b]chromene-8-carboxylic acid