(Q105116878)

English

3-(4-Hydroxyphenyl)-2-propenyl 3-O-alpha-L-rhamnopyranosyl-4-O-[3-(3-methoxy-4-hydroxyphenyl)propenoyl]-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[5-Hydroxy-2-(hydroxymethyl)-6-[3-(4-hydroxyphenyl)prop-2-enoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

634.226155896 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₃₈O₁₄

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canonical SMILES

O=C(OC1C(OC(OCC=CC2=CC=C(O)C=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(OC)=C4

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isomeric SMILES

COc1cc(/C=C/C(=O)O[C@@H]2[C@@H](CO)O[C@@H](OC/C=C/c3ccc(O)cc3)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O

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found in taxon

Pedicularis rex

1 reference

stated in

Chemical Constituents from Pedicularis rex C. B. Clarke

Identifiers

InChI

InChI=1S/C31H38O14/c1-16-24(36)25(37)26(38)31(42-16)45-29-27(39)30(41-13-3-4-17-5-9-19(33)10-6-17)43-22(15-32)28(29)44-23(35)12-8-18-7-11-20(34)21(14-18)40-2/h3-12,14,16,22,24-34,36-39H,13,15H2,1-2H3/b4-3+,12-8+/t16-,22+,24-,25+,26+,27+,28+,29+,30+,31-/m0/s1

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InChIKey

IOTQQJZXQXMTTN-WIODXCPDSA-N

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1 reference

17 September 2022

inferred from InChIKey

1 reference

(Q105116878)

3-(4-Hydroxyphenyl)-2-propenyl 3-O-alpha-L-rhamnopyranosyl-4-O-[3-(3-methoxy-4-hydroxyphenyl)propenoyl]-beta-D-glucopyranoside

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