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(Q15410903)
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caffeylshikimic acid
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
3-{[3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxycyclohex-1-ene-1-carboxylic acid
1 reference
based on heuristic
inferred from InChIKey
mass
336.084517472
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
MRDAXWGGWWDUKL-QKNFAMLRSA-N
1 reference
based on heuristic
inferred from InChI
3-caffeoylshikimic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₁₆O₈
1 reference
imported from Wikimedia project
English Wikipedia
canonical SMILES
C1C(C(C(C=C1C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
0 references
isomeric SMILES
C1[C@H]([C@H]([C@@H](C=C1C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
1 reference
imported from Wikimedia project
English Wikipedia
found in taxon
Pteridium aquilinum
1 reference
stated in
Chemical and toxicological studies on bracken fern, Pteridium aquilinum var. latiusculum. VI. Isolation of 5-O-caffeoylshikimic acid as an antithiamine factor
Identifiers
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/h1-5,7,12-13,15,17-19,21H,6H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1
0 references
InChIKey
MRDAXWGGWWDUKL-GDDAOPKQSA-N
0 references
CAS Registry Number
6082-44-6
1 reference
imported from Wikimedia project
English Wikipedia
ChemSpider ID
29420736
1 reference
imported from Wikimedia project
English Wikipedia
PubChem CID
139031052
1 reference
matched by identifier from
InChIKey
InChIKey
MRDAXWGGWWDUKL-GDDAOPKQSA-N
UniChem compound ID
170453751
1 reference
stated in
UniChem
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