(Q110176340)

English

methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

Methyl 1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

WZYLCZULUZFCHF-BJWKUWNYSA-N

1 reference

based on heuristic

inferred from SMILES

mass

352.1158176 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

methyl (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₇H₂₀O₈

0 references

canonical SMILES

O=C(OC1CC(O)(C(=O)OC)CC(O)C1O)C=CC2=CC=C(O)C=C2

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isomeric SMILES

COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)C=Cc2ccc(O)cc2)C1

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found in taxon

Spuriopimpinella calycina

1 reference

stated in

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Spuriopimpinella brachycarpa

1 reference

stated in

Quinic acid derivatives from Pimpinella brachycarpa exert anti-neuroinflammatory activity in lipopolysaccharide-induced microglia

Identifiers

InChI

InChI=1S/C17H20O8/c1-24-16(22)17(23)8-12(19)15(21)13(9-17)25-14(20)7-4-10-2-5-11(18)6-3-10/h2-7,12-13,15,18-19,21,23H,8-9H2,1H3/t12-,13-,15-,17+/m1/s1

0 references

InChIKey

WZYLCZULUZFCHF-SMKXDYDZSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WZYLCZULUZFCHF-SMKXDYDZSA-N

(Q110176340)

methyl (1S,3R,4R,5R)-1,3,4-trihydroxy-5-[3-(4-hydroxyphenyl)prop-2-enoyloxy]cyclohexane-1-carboxylate

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