(Q105113779)

English

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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type of chemical entity

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subclass of

6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

610.189770388 dalton

1 reference

1 reference

C₂₈H₃₄O₁₅

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OCC(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1[C@@H](CO)O[C@@H](OCCc2ccc(O)c(O)c2)[C@H](O)[C@H]1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O

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found in taxon

Retzia capensis

1 reference

stated in

Iridoids and verbascosides in Retzia

Identifiers

InChI

InChI=1S/C28H34O15/c29-11-20-25(42-21(35)6-3-13-1-4-15(30)17(32)9-13)26(43-27-23(37)22(36)19(34)12-40-27)24(38)28(41-20)39-8-7-14-2-5-16(31)18(33)10-14/h1-6,9-10,19-20,22-34,36-38H,7-8,11-12H2/b6-3+/t19-,20+,22+,23+,24+,25+,26+,27-,28+/m0/s1

0 references

InChIKey

IIVINXPOHZUXQM-QNCRHLSSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

IIVINXPOHZUXQM-QNCRHLSSSA-N

(Q105113779)

[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

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