(Q105178667)

English

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)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-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

1 reference

based on heuristic

inferred from SMILES

mass

652.23672058 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₃₁H₄₀O₁₅

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canonical SMILES

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

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isomeric SMILES

COc1ccc(CCO[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)c(OC)c3)[C@@H](O)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)cc1O

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found in taxon

Prostanthera melissifolia

2 references

stated in

Phenylethanoid glycosides from Prostanthera melissifolia

stated in

Phenylethanoid glycosides from Prostanthera melissifolia

Buddleja davidii

1 reference

stated in

Phenylethanoid and lignan-iridoid complex glycosides from roots of Buddleja davidii

Galeopsis pubescens

1 reference

stated in

Isomartynoside, a phenylpropanoid glycoside from Galeopsis pubescens

Pedicularis rex

1 reference

stated in

Chemical Constituents from Pedicularis rex C. B. Clarke

Plantago asiatica

1 reference

stated in

Phenylethanoid glycosides from Plantago asiatica

Plantago major

1 reference

stated in

Phenylethanoid glycosides from Plantago asiatica

Rehmannia glutinosa

1 reference

stated in

Study on antioxidant effect and chemical constituents of Taohong Siwu decoction

Scutellaria albida

1 reference

stated in

Iridoids from Scutellaria albida ssp. albida

Identifiers

InChI

InChI=1S/C31H40O15/c1-15-24(35)26(37)27(38)31(44-15)46-29-25(36)22(14-43-23(34)9-6-16-4-7-18(32)21(13-16)41-3)45-30(28(29)39)42-11-10-17-5-8-20(40-2)19(33)12-17/h4-9,12-13,15,22,24-33,35-39H,10-11,14H2,1-3H3/b9-6+/t15-,22+,24-,25+,26+,27+,28+,29-,30+,31-/m0/s1

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InChIKey

NFTBVWKAIZBSRS-ZXLVUZSHSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

NFTBVWKAIZBSRS-ZXLVUZSHSA-N

1 reference

(Q105178667)

[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-[2-(3-hydroxy-4-methoxyphenyl)ethoxy]-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]methyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

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Identifiers

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