(Q104920935)

English

[(3S,4R,5S)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate

chemical compound

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instance of

type of chemical entity

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subclass of

[5-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate

1 reference

based on heuristic

inferred from SMILES

mass

522.1737264 dalton

1 reference

1 reference

C₂₅H₃₀O₁₂

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canonical SMILES

O=C(OCC1(O)COC(OC2C(OC3=CC=C(C=C3)CO)OC(CO)C(O)C2O)C1O)C=4C=CC=CC4

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isomeric SMILES

O=C(OC[C@@]1(O)CO[C@@H](O[C@H]2[C@H](Oc3ccc(CO)cc3)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]1O)c1ccccc1

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found in taxon

Cucurbita moschata

1 reference

stated in

New phenolic glycosides from the seeds of Cucurbita moschata

Identifiers

InChI

InChI=1S/C25H30O12/c26-10-14-6-8-16(9-7-14)35-23-20(19(29)18(28)17(11-27)36-23)37-24-21(30)25(32,13-34-24)12-33-22(31)15-4-2-1-3-5-15/h1-9,17-21,23-24,26-30,32H,10-13H2/t17-,18+,19+,20-,21+,23-,24+,25-/m1/s1

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InChIKey

AXZMIAQIIFBOLT-LZMGOZBSSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

AXZMIAQIIFBOLT-LZMGOZBSSA-N

(Q104920935)

[(3S,4R,5S)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl benzoate

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Identifiers

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