(Q105306357)

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 4-hydroxybenzoate

chemical compound

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Statements

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 4-hydroxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

538.16864102 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₀O₁₃

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canonical SMILES

O=C(OCC1(O)COC(OC2C(O)C(O)C(OC2OC3=CC=C(C=C3)CO)CO)C1O)C4=CC=C(O)C=C4

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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)c1ccc(O)cc1

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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/C25H30O13/c26-9-13-1-7-16(8-2-13)36-23-20(19(30)18(29)17(10-27)37-23)38-24-21(31)25(33,12-35-24)11-34-22(32)14-3-5-15(28)6-4-14/h1-8,17-21,23-24,26-31,33H,9-12H2/t17-,18+,19+,20-,21+,23-,24+,25-/m1/s1

0 references

InChIKey

WIMAHNFFARKNJF-LZMGOZBSSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

WIMAHNFFARKNJF-LZMGOZBSSA-N

(Q105306357)

[(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 4-hydroxybenzoate

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Identifiers

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