(Q105325698)

English

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

group of stereoisomers with the chemical formula C₃₀H₂₆O₁₂

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Statements

instance of

group of stereoisomers

0 references

1 reference

578.142426272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₀H₂₆O₁₂

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canonical SMILES

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

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isomeric SMILES

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

Identifiers

InChI

InChI=1S/C30H26O12/c31-14-24-27(37)28(38)29(42-25(36)10-3-15-1-6-17(32)7-2-15)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

XDGSYLNVWAOCRH-PJKRZSEZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XDGSYLNVWAOCRH-PJKRZSEZSA-N

(Q105325698)

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

Statements

Identifiers

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