(Q105126257)

English

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[3,5-Dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] 3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

578.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3''-O-(4-Hydroxycinnamoyl)cosmosiin

1 reference

based on heuristic

inferred from InChI

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₃₀H₂₆O₁₂

0 references

canonical SMILES

O=C(OC1C(O)C(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=4C=CC(O)=CC4)OC(CO)C1O)C=CC5=CC=C(O)C=C5

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isomeric SMILES

O=C(/C=C\c1ccc(O)cc1)O[C@@H]1[C@@H](O)[C@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)O[C@H](CO)[C@H]1O

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found in taxon

Stachys aegyptiaca

1 reference

stated in

Stachysetin, a diapigenin-7-glucoside-p,p′-dihydroxy-truxinate from Stachys aegyptiaca

Stachys byzantina

1 reference

stated in

Iridoid glycoside constituents of Stachys lanata

Stachys germanica

1 reference

stated in

Iridoid glycoside constituents of Stachys lanata

Identifiers

InChI

InChI=1S/C30H26O12/c31-14-24-27(37)29(42-25(36)10-3-15-1-6-17(32)7-2-15)28(38)30(41-24)39-19-11-20(34)26-21(35)13-22(40-23(26)12-19)16-4-8-18(33)9-5-16/h1-13,24,27-34,37-38H,14H2/b10-3-/t24-,27-,28-,29+,30-/m1/s1

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InChIKey

JEOJQDYZOZKMAG-CWCBKLKASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

JEOJQDYZOZKMAG-CWCBKLKASA-N

(Q105126257)

[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-4-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate

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Identifiers

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