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CHEBI:198440 - Mabetaarigenin E

ChEBI IDCHEBI:198440
ChEBI NameMabetaarigenin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H12O4
Net Charge0
Average Mass172.180
Monoisotopic Mass172.07356
SMILESC[C@@H]1C=C[C@H](O)[C@H](O)[C@H]1C(=O)O
InChIInChI=1S/C8H12O4/c1-4-2-3-5(9)7(10)6(4)8(11)12/h2-7,9-10H,1H3,(H,11,12)/t4-,5+,6+,7+/m1/s1
InChIKeyRHXXZFQMAAFQOC-BWBBJGPYSA-N
Species of MetaboliteComponentSourceComments
Coniothyriumspecies (ncbitaxon:1756115) - DOI (10.1002/ejoc.200600987)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Mabetaarigenin E (CHEBI:198440) is a 3-hydroxy carboxylic acid (CHEBI:61355)
IUPAC Name 
(1S,2R,5S,6R)-5,6-dihydroxy-2-methylcyclohex-3-ene-1-carboxylic acid
Manual XrefsDatabases
17588952ChemSpider