(Q105283075)

English

3,4-Dihydroxyphenethyl 3-O-(alpha-L-rhamnopyranosyl)-4-O-(3,4-dihydroxy-trans-cinnamoyl)-6-O-[(2E)-1-oxo-3-(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]-3-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

770.242199884 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₈H₄₂O₁₇

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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=C5

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Globularia alypum

1 reference

stated in

Phenylethyl Glycosides fromGlobularia alypumGrowing in Turkey

Identifiers

InChI

InChI=1S/C38H42O17/c1-19-31(46)32(47)33(48)38(52-19)55-36-34(49)37(50-15-14-22-5-11-25(41)27(43)17-22)53-28(18-51-29(44)12-6-20-2-8-23(39)9-3-20)35(36)54-30(45)13-7-21-4-10-24(40)26(42)16-21/h2-13,16-17,19,28,31-43,46-49H,14-15,18H2,1H3/b12-6+,13-7+/t19-,28+,31-,32+,33+,34+,35+,36+,37+,38-/m0/s1

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InChIKey

VAYFIQLBOLLONO-ZKKHMRHYSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

VAYFIQLBOLLONO-ZKKHMRHYSA-N

1 reference

(Q105283075)

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

Statements

Identifiers

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