(Q76280931)

English

(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

3-(3,5-dimethoxy-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-enoic acid

1 reference

based on heuristic

inferred from SMILES

mass

386.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₇H₂₂O₁₀

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canonical SMILES

O=C(O)C=CC1=CC(OC)=C(OC2OC(CO)C(O)C(O)C2O)C(OC)=C1

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isomeric SMILES

COC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)OC)/C=C/C(=O)O

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found in taxon

Capsicum annuum

1 reference

stated in

Isolation and structure elucidation of flavonoid and phenolic acid glycosides from pericarp of hot pepper fruit Capsicum annuum L.

rapeseed

1 reference

stated in

Profiling of phenylpropanoids in transgenic low-sinapine oilseed rape (Brassica napus).

Cydonia oblonga

2 references

stated in

Antioxidant and antiproliferative activities of phytochemicals from Quince (Cydonia vulgaris) peels

stated in

Isolation and structure elucidation of antioxidant polyphenols from quince (Cydonia vulgaris) peels

Cydonia vulgaris

2 references

stated in

Antioxidant and antiproliferative activities of phytochemicals from Quince (Cydonia vulgaris) peels

stated in

Isolation and structure elucidation of antioxidant polyphenols from quince (Cydonia vulgaris) peels

Salacia chinensis

1 reference

stated in

Chemical structures and hepatoprotective effects of constituents from the leaves of Salacia chinensis

potato

1 reference

stated in

Biochemical characterization of the suberization-associated anionic peroxidase of potato

Identifiers

InChI

InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1

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InChIKey

KKLWTTVTWMTNBP-KYXYLJOWSA-N

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CAS Registry Number

117405-52-4

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

5280550

1 reference

matched by identifier from

InChIKey

KKLWTTVTWMTNBP-KYXYLJOWSA-N

ChEBI ID

145341

mapping relation type

exact match

2 references

stated in

ChEBI release 2021-03-01

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)/b4-3+/t11-,13-,14+,15-,17+/m1/s1

1 reference

1 reference

matched by identifier from

InChIKey

KKLWTTVTWMTNBP-KYXYLJOWSA-N

(Q76280931)

(E)-3-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

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