(Q104393642)

English

(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

1,3,5-Trihydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

368.11073222 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(1S,3R,4S,5R)-1,3,5-trihydroxy-4-{[(2Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-O-feruloyl-D-quinic acid

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

4-O-Feruloyl quinic acid

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₉

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canonical SMILES

O=C(OC1C(O)CC(O)(C(=O)O)CC1O)C=CC2=CC=C(O)C(OC)=C2

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isomeric SMILES

COc1cc(/C=C/C(=O)OC2[C@H](O)CC(O)(C(=O)O)C[C@H]2O)ccc1O

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found in taxon

Coffea canephora

2 references

stated in

3-O-caffeoyl-4-O-feruloylquinic acid from green robusta coffee beans

stated in

4-O-feruloylquinic acid from green coffee beans

Coptis japonica

1 reference

stated in

Isolation and characterization of phenolic compounds from Coptidis Rhizoma.

Oenothera biennis

1 reference

stated in

Chemical Composition, Antioxidative and Anti-Inflammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation

Identifiers

InChI

InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1

0 references

InChIKey

VTMFDSJJVNQXLT-XQCMRRNBSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

ChEBI ID

189458

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)/b5-3+/t11-,12-,15?,17?/m1/s1

1 reference

2 references

inferred from InChIKey

matched by identifier from

InChIKey

VTMFDSJJVNQXLT-XQCMRRNBSA-N

(Q104393642)

(3R,5R)-1,3,5-trihydroxy-4-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acid

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