(Q104993746)

English

3,4-Dihydroxyphenethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-(3,4-dihydroxy-trans-cinnamoyl)-6-O-[(2E)-1-oxo-3-(3-methoxy-4-hydroxyphenyl)-2-propenyl]-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[2-(3,4-Dihydroxyphenyl)ethoxy]-5-hydroxy-2-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxymethyl]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

800.252764568 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₉H₄₄O₁₈

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canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(OC3OC(C)C(O)C(O)C3O)C1OC(=O)C=CC4=CC=C(O)C(O)=C4)C=CC5=CC=C(O)C(OC)=C5

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isomeric SMILES

COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](OCCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)ccc1O

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found in taxon

Globularia alypum

1 reference

stated in

Phenylethyl Glycosides fromGlobularia alypumGrowing in Turkey

Identifiers

InChI

InChI=1S/C39H44O18/c1-19-32(47)33(48)34(49)39(54-19)57-37-35(50)38(52-14-13-22-4-9-24(41)27(44)16-22)55-29(18-53-30(45)11-6-21-5-10-25(42)28(17-21)51-2)36(37)56-31(46)12-7-20-3-8-23(40)26(43)15-20/h3-12,15-17,19,29,32-44,47-50H,13-14,18H2,1-2H3/b11-6+,12-7+/t19-,29+,32-,33+,34+,35+,36+,37+,38+,39-/m0/s1

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InChIKey

FDRZMRMXURZSAM-GZDUQNAYSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

FDRZMRMXURZSAM-GZDUQNAYSA-N

1 reference

(Q104993746)

3,4-Dihydroxyphenethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-(3,4-dihydroxy-trans-cinnamoyl)-6-O-[(2E)-1-oxo-3-(3-methoxy-4-hydroxyphenyl)-2-propenyl]-beta-D-glucopyranoside

Statements

Identifiers

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