(Q104392517)

English

[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

group of stereoisomers with the chemical formula C₂₉H₃₄O₁₅

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Statements

instance of

group of stereoisomers

0 references

1 reference

622.189770388 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₉H₃₄O₁₅

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canonical SMILES

O=C(OC1C(OC2OCC(OC2C1OC3OC(C)C(O)C(O)C3O)C4=CC=C(O)C(O)=C4)CO)C=CC5=CC=C(O)C(O)=C5

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2C3O[C@@H](c4ccc(O)c(O)c4)CO[C@@H]3O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Codonanthe gracilis

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stated in

The occurrence of phenylpropanoid glycosides in Italian Orobanche spp.

Globularia trichosantha

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stated in

New phenylethanoid glycosides from Globularia alypum

Orobanche variegata

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stated in

Phenolic metabolites from Orobanche speciosa

Identifiers

InChI

InChI=1S/C29H34O15/c1-12-22(36)23(37)24(38)28(40-12)44-26-25(43-21(35)7-3-13-2-5-15(31)17(33)8-13)19(10-30)42-29-27(26)41-20(11-39-29)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-34,36-38H,10-11H2,1H3/b7-3+/t12-,19+,20+,22-,23+,24+,25+,26-,27?,28-,29+/m0/s1

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InChIKey

FPOYEEKZOOLVJA-CROSMTIUSA-N

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1 reference

26 December 2021

1 reference

(Q104392517)

[(2S,4aR,6R,7R,8S,8aR)-2-(3,4-dihydroxyphenyl)-6-(hydroxymethyl)-8-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-3,4a,6,7,8,8a-hexahydro-2H-pyrano[2,3-b][1,4]dioxin-7-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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