(Q105313720)

English

methyl (4R,5E,6S)-5-(2-hydroxyethylidene)-6-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

chemical compound

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instance of

type of chemical entity

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subclass of

Methyl 5-(2-hydroxyethylidene)-6-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

1 reference

based on heuristic

inferred from SMILES

mass

538.205026528 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₄O₁₂

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canonical SMILES

O=C(OC)C1=CCC(OC2OC(CO)C(O)C(O)C2O)C(=CCO)C1CC(=O)OCCC3=CC=C(O)C=C3

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isomeric SMILES

COC(=O)C1=CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/CO)[C@@H]1CC(=O)OCCc1ccc(O)cc1

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found in taxon

Carex distachya

1 reference

stated in

Potential food additives from Carex distachya roots: identification and in vitro antioxidant properties

Identifiers

InChI

InChI=1S/C26H34O12/c1-35-25(34)17-6-7-19(37-26-24(33)23(32)22(31)20(13-28)38-26)16(8-10-27)18(17)12-21(30)36-11-9-14-2-4-15(29)5-3-14/h2-6,8,18-20,22-24,26-29,31-33H,7,9-13H2,1H3/b16-8+/t18-,19+,20+,22+,23-,24+,26+/m0/s1

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InChIKey

WVRYOAMIZVPSGX-CPUXIVJOSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WVRYOAMIZVPSGX-CPUXIVJOSA-N

(Q105313720)

methyl (4R,5E,6S)-5-(2-hydroxyethylidene)-6-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexene-1-carboxylate

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