CHEBI:221420 - Conhypoprotocetraric acid

ChEBI IDCHEBI:221420
ChEBI NameConhypoprotocetraric acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H16O8
Net Charge0
Average Mass360.318
Monoisotopic Mass360.08452
SMILESCc1cc(O)c(C)c2c1C(=O)Oc1c(CO)c(O)c(C(=O)O)c(C)c1O2
InChIInChI=1S/C18H16O8/c1-6-4-10(20)7(2)14-11(6)18(24)26-16-9(5-19)13(21)12(17(22)23)8(3)15(16)25-14/h4,19-21H,5H2,1-3H3,(H,22,23)
InChIKeyINMABPVEUVMMPG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Relicina (ncbitaxon:299002) - DOI (10.1071/ch9951479)
ChEBI Ontology
Outgoing Relation(s)
Conhypoprotocetraric acid (CHEBI:221420) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
3,9-dihydroxy-4-(hydroxymethyl)-1,7,10-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
Manual XrefsDatabases
28576330ChemSpider