Shikimic acid

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Systematic / IUPAC Name: (3R,4S,5R)-3,4,5-Trihydroxycyclohexene-1-carboxylic acid

ID: Reference14111

Other Names: (-)-Shikimic acid;
AA-3014

Formula: C7H10O5

Class: Endogenous Metabolites

Spectral Data

Shikimic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap ID-X with ETD_Cal Gateshead
No. of Spectral Trees 1
No. of Spectra 1803
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/4/2026 4:05:59 PM
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Identificators

InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChI Key JXOHGGNKMLTUBP-HSUXUTPPSA-N
Canonical SMILES O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
CAS
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Other Names (-)-Shikimic acid;
AA-3014

In Other Databases

Wikipedia Shikimic_acid
PubChem 8742; 8742
ChEBI CHEBI:16119
HMDb HMDB0003070; HMDB0003070; HMDB0003070
ChemSpider 8412
ChEMBL CHEMBL290345
KEGG C00493