(Q105384148)

English

[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoxy]-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[4,5-Dihydroxy-6-(3-phenylprop-2-enoxy)-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] benzoate

1 reference

based on heuristic

inferred from SMILES

mass

546.210111908 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₈H₃₄O₁₁

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canonical SMILES

O=C(OC1C(O)C(O)C(OCC=CC=2C=CC=CC2)OC1COC3OC(C)C(O)C(O)C3O)C=4C=CC=CC4

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isomeric SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC/C=C/c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2OC(=O)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O

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found in taxon

Populus tremula

1 reference

stated in

Cinnamrutinoses A and B, glycosides of Populus tremula

Identifiers

InChI

InChI=1S/C28H34O11/c1-16-20(29)21(30)23(32)28(37-16)36-15-19-25(39-26(34)18-12-6-3-7-13-18)22(31)24(33)27(38-19)35-14-8-11-17-9-4-2-5-10-17/h2-13,16,19-25,27-33H,14-15H2,1H3/b11-8+/t16-,19+,20-,21+,22+,23+,24+,25+,27+,28+/m0/s1

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InChIKey

ZUWHAGVBECTFRF-KTNHPNIZSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZUWHAGVBECTFRF-KTNHPNIZSA-N

1 reference

(Q105384148)

[(2R,3S,4R,5R,6R)-4,5-dihydroxy-6-[(E)-3-phenylprop-2-enoxy]-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] benzoate

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