input word = C00054116

Metabolite InformationStructural formula
Name 5-O-trans-Caffeoylgalactaric acid
Formula C15H16O11
Mw 372.06926136
CAS RN 1123177-57-0
C_ID C00054116
InChIKey OMIXKOJEIRRAJW-IJRZCSAKSA-N
InChICode InChI=1S/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)/b4-2+/t10-,11+,12+,13-/m0/s1
SMILES O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeSandoricum koetjape Ref.
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OrganismSandoricum koetjape
ReferenceAldrich Library of NMR Spectra, 2nd edn.,1983, 1, 458B (nmr)