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CHEBI:166699 - 7C-Aglycone

ChEBI IDCHEBI:166699
ChEBI Name7C-Aglycone
Stars
Last Modified28 July 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18O4
Net Charge0
Average Mass298.338
Monoisotopic Mass298.12051
SMILESCC1=C(C/C=C(/C)CCC(=O)O)C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H18O4/c1-11(8-10-16(19)20)7-9-13-12(2)17(21)14-5-3-4-6-15(14)18(13)22/h3-7H,8-10H2,1-2H3,(H,19,20)/b11-7-
InChIKeyBCNIZSHMXASUGF-XFFZJAGNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
7C-Aglycone (CHEBI:166699) is a 1,4-naphthoquinones (CHEBI:132142)
7C-Aglycone (CHEBI:166699) is a monocarboxylic acid (CHEBI:25384)
IUPAC Name 
(Z)-4-methyl-6-(3-methyl-1,4-dioxonaphthalen-2-yl)hex-4-enoic acid
Manual XrefsDatabases
HMDB0004808HMDB
13628420ChemSpider