(Q27269146)

4-o-caffeoylshikimic acid (English)

14 October 2016

chemical formula

C₁₆H₁₆O₈

1 reference

4-o-caffeoylshikimic acid (English)

14 October 2016

canonical SMILES

C1C(C(C(C=C1C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O

1 reference

4-o-caffeoylshikimic acid (English)

14 October 2016

isomeric SMILES

C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O

1 reference

4-O-Caffeoylshikimic and 4-O-(p-Coumaroyl)shikimic Acids from the Dwarf Tree Fern,Dicksonia antarctica

4-o-caffeoylshikimic acid (English)

14 October 2016

2 references

4-O-Caffeoylshikimic and 4-O-(p-Coumaroyl)shikimic Acids from the Dwarf Tree Fern,Dicksonia antarctica

Sarcandra glabra

2 references

A new coumarin from Sarcandra glabra

Chemical profiling of bioactive constituents in Sarcandra glabra and its preparations using ultra-high-pressure liquid chromatography coupled with LTQ Orbitrap mass spectrometry

Identifiers

InChI

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

1 reference

4-o-caffeoylshikimic acid (English)

14 October 2016

1 reference

Global Substance Registration System

4-o-caffeoylshikimic acid (English)

14 October 2016

1 reference

UNII

80J8ZT4K3I

4-caffeoylshikimic acid (English)

14 October 2016

1 reference

(3R,4S,5R)-4-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-3,5-dihydroxy-1-cyclohexene-1-carboxylic acid (English)

14 October 2016

2 references

4-o-caffeoylshikimic acid (English)

14 October 2016

ChEBI ID

175270

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(21)24-15-12(19)6-9(16(22)23)7-13(15)20/h1-6,12-13,15,17-20H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

1 reference

2 references

inferred from InChIKey

UNII

80J8ZT4K3I

2 references

Global Substance Registration System

UNII

80J8ZT4K3I

4-caffeoylshikimic acid (English)

14 October 2016