(Q104998366)

English

3,4-Dihydroxyphenethyl 3-O-beta-D-rhamnopyranosyl-6-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranoside

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

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

1 reference

based on heuristic

inferred from SMILES

mass

624.205420452 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

[(2R,3R,4S,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

[(2S,3S,4R,5S,6S)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-3,5-dihydroxy-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₉H₃₆O₁₅

0 references

canonical SMILES

O=C(OCC1OC(OCCC2=CC=C(O)C(O)=C2)C(O)C(OC3OC(C)C(O)C(O)C3O)C1O)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

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

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found in taxon

Bauhinia tarapotensis

1 reference

stated in

Antioxidant principles from Bauhinia tarapotensis.

Identifiers

InChI

InChI=1S/C29H36O15/c1-13-22(35)24(37)25(38)29(42-13)44-27-23(36)20(12-41-21(34)7-4-14-2-5-16(30)18(32)10-14)43-28(26(27)39)40-9-8-15-3-6-17(31)19(33)11-15/h2-7,10-11,13,20,22-33,35-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23-,24+,25+,26-,27+,28-,29+/m1/s1

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InChIKey

FNMHEHXNBNCPCI-ZHFMDAIKSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

FNMHEHXNBNCPCI-ZHFMDAIKSA-N

1 reference

(Q104998366)

3,4-Dihydroxyphenethyl 3-O-beta-D-rhamnopyranosyl-6-O-(3,4-dihydroxy-trans-cinnamoyl)-beta-D-glucopyranoside

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