(Q27105553)

inferred from SMILES

chemical structure

5-O-caffeoylshikimic acid.svg
790 × 420; 16 KB

0 references

mass

336.084517±0 dalton

1 reference

5-O-Caffeoylshikimic acid (English)

5 October 2016

stereoisomer of

caryophyllene epoxide

2 references

inferred from InChIKey

inferred from InChI

chemical formula

C₁₆H₁₆O₈

1 reference

5-O-Caffeoylshikimic acid (English)

20 November 2016

canonical SMILES

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

1 reference

5-O-Caffeoylshikimic acid (English)

20 November 2016

isomeric SMILES

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

1 reference

Interspecific and intraspecific variation of phenolics in the genus Equisetum subgenus Equisetum

5-O-Caffeoylshikimic acid (English)

20 November 2016

2 references

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Equisetum ramosissimum

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Equisetum giganteum

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Equisetum x litorale

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Equisetum rothmaleri

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Osmunda regalis

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Cryptogramma crispa

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Pteridium aquilinum

2 references

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Chemical and toxicological studies on bracken fern, Pteridium aquilinum var. latiusculum. VI. Isolation of 5-O-caffeoylshikimic acid as an antithiamine factor

Thelypteris palustris

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Phegopteris connectilis

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Oreopteris

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Asplenium obovatum

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Athyrium filix-femina

3 references

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Caffeic acid derivatives in fronds of the lady fern (Athyrium filix-femina)

Caffeic acid derivatives in fronds of the lady fern (Athyrium filix-femina)

Cystopteris fragilis

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Onoclea sensibilis

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Polystichum aculeatum

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Polystichum braunii

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Polystichum lonchitis

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Dryopteris filix-mas

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Polypodium vulgare

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Polypodium virginianum

1 reference

The distribution of caffeic acid conjugates in the equisetaceae and some ferns

Equisetum telmateia

1 reference

Interspecific and intraspecific variation of phenolics in the genus Equisetum subgenus Equisetum

Equisetum sylvaticum

1 reference

Interspecific and intraspecific variation of phenolics in the genus Equisetum subgenus Equisetum

Equisetum pratense

1 reference

Interspecific and intraspecific variation of phenolics in the genus Equisetum subgenus Equisetum

Equisetum arvense

2 references

Interspecific and intraspecific variation of phenolics in the genus Equisetum subgenus Equisetum

Di-E-caffeoyl-meso-tartaric acid in the barren sprouts of Equisetum arvense

Smilax bracteata

2 references

Antioxidant phenylpropanoid glycosides from Smilax bracteata

Antioxidant phenylpropanoid glycosides from Smilax bracteata

Phoenix dactylifera

1 reference

Phenolic compounds in date palm cultivars sensitive and resistant toFusarium oxysporum

Livistona chinensis

1 reference

Bioactive phenolics from the fruits of Livistona chinensis

Sarcandra glabra

3 references

Chemical constituents from Sarcandra glabra

A new coumarin from Sarcandra glabra

Benzyl 2-β-glucopyranosyloxybenzoate, a new phenolic acid glycoside from Sarcandra glabra

Blechnum spicant

1 reference

[13C]-Specific labeling of 8-2' linked (-)-cis-blechnic, (-)-trans-blechnic and (-)-brainic acids in the fern Blechnum spicant.

Brainea insignis

1 reference

Phenolic constituents from Brainea insignis

Phlomis brunneogaleata

1 reference

Inhibiting activities of the secondary metabolites of Phlomis brunneogaleata against parasitic protozoa and plasmodial enoyl-ACP Reductase, a crucial enzyme in fatty acid biosynthesis

Smilax corbularia

1 reference

Estrogenic and anti-estrogenic compounds from the Thai medicinal plant, Smilax corbularia (Smilacaceae).

Smilax excelsa

1 reference

Bioactive chemical constituents from Smilax excelsa

Typha capensis

1 reference

Polyphenolic Compounds from Female Flowers ofTypha latifoliaL.

Typha latifolia

1 reference

Polyphenolic Compounds from Female Flowers ofTypha latifoliaL.

Coryphopteris japonica

1 reference

Chemical and Chemotaxonomical Studies of Filices. LXXVI. : An Unusual Flavanone Derivative from Wagneriopteris japonica LOEVE et LOEVE

Struthiopteris castanea

1 reference

[13C]-Specific labeling of 8-2' linked (-)-cis-blechnic, (-)-trans-blechnic and (-)-brainic acids in the fern Blechnum spicant.

Cichorium intybus

1 reference

Identification of phenolic constituents in red chicory salads (Cichorium intybus) by high-performance liquid chromatography with diode array detection and electrospray ionisation tandem mass spectrometry

Struthiopteris spicant

1 reference

[13C]-Specific labeling of 8-2' linked (-)-cis-blechnic, (-)-trans-blechnic and (-)-brainic acids in the fern Blechnum spicant.

Lomaridium contiguum

1 reference

[13C]-Specific labeling of 8-2' linked (-)-cis-blechnic, (-)-trans-blechnic and (-)-brainic acids in the fern Blechnum spicant.

Ginkgo biloba

1 reference

A strategy for screening antioxidants in Ginkgo biloba extract by comprehensive two-dimensional ultra high performance liquid chromatography.

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/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)/b4-2+/t12-,13-,15-/m1/s1

1 reference

5-O-Caffeoylshikimic acid (English)

QMPHZIPNNJOWQI-GDDAOPKQSA-N

20 November 2016

InChIKey

2 references

5-O-Caffeoylshikimic acid (English)

20 November 2016

ChEBI release 2020-09-01

CAS Registry Number

73263-62-4

2 references

Global Substance Registration System

UNII

5U399BD0RZ

5-caffeoylshikimic acid (English)

QMPHZIPNNJOWQI-GDDAOPKQSA-N

20 November 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=73263-62-4

1 reference

5-O-Caffeoylshikimic acid (English)

20 November 2016

1 reference

5-O-Caffeoylshikimic acid (English)

20 November 2016

Reaxys registry number

5610056

1 reference

5-[(E)-caffeoyl]shikimic acid (English)

5 October 2016

ChEBI ID

2106

mapping relation type

1 reference

splash10-03di-0900000000-e48f9bf5dffe86a9e92a

5-[(E)-caffeoyl]shikimic acid (English)

5 October 2016

1 reference

0 references

1 reference

Human Metabolome Database ID

HMDB0033999

1 reference

inferred from InChIKey

1 reference

Global Substance Registration System

5-[(E)-caffeoyl]shikimic acid (English)

5 October 2016

1 reference

UNII

5U399BD0RZ

5-caffeoylshikimic acid (English)

20 November 2016

0 references

1 reference

5-[(E)-caffeoyl]shikimic acid (English)