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CHEBI:216233 - Rhizopycnis acid B

ChEBI IDCHEBI:216233
ChEBI NameRhizopycnis acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H16O5
Net Charge0
Average Mass252.266
Monoisotopic Mass252.09977
SMILESCOc1ccc(C(=O)O)cc1CC[C@H](C)C(=O)O
InChIInChI=1S/C13H16O5/c1-8(12(14)15)3-4-9-7-10(13(16)17)5-6-11(9)18-2/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)/t8-/m0/s1
InChIKeyYANJIBCHXINHEA-QMMMGPOBSA-N
Species of MetaboliteComponentSourceComments
Acrocalymma vagum (ncbitaxon:1589764) - PubMed (29509705)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Rhizopycnis acid B (CHEBI:216233) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
3-[(3S)-3-carboxybutyl]-4-methoxybenzoic acid