Concept information
Preferred term
5 [(E) caffeoyl]shikimate
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
alt_id
- CHEBI:133566
charge
- -1
formula
- C16H15O8
has_role
inchi
- InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/p-1/b4-2+/t12-,13-,15-/m1/s1
inchikey
- QMPHZIPNNJOWQI-GDDAOPKQSA-M
is_conjugate_base_of
mass
- 335.286
monoisotopicmass
- 335.07724
smiles
- C1(=CC=C(C(=C1)O)O)/C=C/C(O[C@H]2[C@@H]([C@@H](C=C(C2)C(=O)[O-])O)O)=O
subset
- 3_STAR
synonym EXACT
- (3R,4R,5R)-5-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3,4-dihydroxycyclohex-1-ene-1-carboxylate
synonym RELATED
- 5-caffeoylshikimate
- 5-O-caffeoylshikimate
- 5-O-[(E)-caffeoyl]-shikimate
- 5-(trans-caffeoyl)shikimate
- caffeoylshikimate
In other languages
-
English
URI
http://www.irandoc.acir/onto/irandoc/CHEBI:91005
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