input word = C00057315

Metabolite InformationStructural formula
Name Mono-trans-p-coumaroylmesotartaric acid
Formula C13H12O8
Mw 296.05321736
CAS RN 27174-06-7
C_ID C00057315
InChIKey INYJZRKTYXTZHP-MFFLNWJUSA-N
InChICode InChI=1S/C13H12O8/c14-8-4-1-7(2-5-8)3-6-9(15)21-11(13(19)20)10(16)12(17)18/h1-6,10-11,14,16H,(H,17,18)(H,19,20)/b6-3+/t10-,11+/m1/s1
SMILES OC1=CC=C(/C=C/C(O[C@H](C(O)=O)[C@@H](O)C(O)=O)=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeChenopodiaceaeSpinacia oleracea Ref.
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OrganismSpinacia oleracea
ReferenceAldrich Library of FT-IR Spectra, 1st edn.,1985, 1, 523A

523C

1, 523D

1, 662D

1, 663A

1, 663C

1, 663D

664A

664C

2, 1286C (ir)