CHEBI:166699 - 7C-Aglycone

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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 7C-Aglycone
ChEBI ID CHEBI:166699
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H18O4
Net Charge 0
Average Mass 298.338
Monoisotopic Mass 298.12051
InChI InChI=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-
InChIKey BCNIZSHMXASUGF-XFFZJAGNSA-N
SMILES O=C1C(C/C=C(\CCC(O)=O)/C)=C(C(=O)C=2C1=CC=CC2)C
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
13628420 ChemSpider
HMDB0004808 HMDB
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Last Modified
28 July 2021