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

ChEBI IDCHEBI:192801
ChEBI Name12a-Hydroxy-9-Demethylmunduserone-8-Carboxylic Acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H16O9
Net Charge0
Average Mass388.328
Monoisotopic Mass388.07943
SMILESCOc1cc2c(cc1OC)C1(O)C(=O)c3ccc(O)c(C(=O)O)c3OC1CO2
InChIInChI=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)
InChIKeyOCHPVPSALUKLOM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Phytophthora nicotianae (ncbitaxon:4790) mycelium (BTO:0001436) MetaboLights (MTBLS5405)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
3836405ChemSpider