(Q105141861)

English

[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

chemical compound

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instance of

type of chemical entity

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subclass of

alkyl caffeate ester

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mass

680.2316352 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₃₂H₄₀O₁₆

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canonical SMILES

O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(OC(=O)C)C1OCC3OC(C)C(O)C(O)C3O)CO)C=CC4=CC=C(O)C(O)=C4

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isomeric SMILES

CC(=O)O[C@@H]1[C@@H](OC[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H](CO)O[C@H]1OCCc1ccc(O)c(O)c1

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found in taxon

Cistanche tubulosa

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stated in

Acylated phenylethanoid oligoglycosides with hepatoprotective activity from the desert plant Cistanche tubulosa

Cistanche phelypaea

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stated in

Acylated phenylethanoid oligoglycosides with hepatoprotective activity from the desert plant Cistanche tubulosa

Identifiers

InChI

InChI=1S/C32H40O16/c1-15-26(40)28(42)27(41)24(45-15)14-44-30-29(48-25(39)8-5-17-3-6-19(35)21(37)11-17)23(13-33)47-32(31(30)46-16(2)34)43-10-9-18-4-7-20(36)22(38)12-18/h3-8,11-12,15,23-24,26-33,35-38,40-42H,9-10,13-14H2,1-2H3/b8-5+/t15-,23+,24-,26-,27-,28+,29+,30-,31+,32+/m0/s1

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InChIKey

KJJKGAYHJMZKLA-DBDAIDROSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KJJKGAYHJMZKLA-DBDAIDROSA-N

1 reference

(Q105141861)

[(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]methoxy]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Statements

Identifiers

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