(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3,5-dimethoxybenzoate (Q104960663)

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chemical compound

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Language	Label	Description	Also known as
English	(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 4-hydroxy-3,5-dimethoxybenzoate	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

CIYLTHWUJCCASO-OCTICCSSSA-N

1 reference

based on heuristic

inferred from SMILES

Benzoic acid + 1O, 2MeO, O-Hex

1 reference

based on heuristic

inferred from SMILES

[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-hydroxy-3,5-dimethoxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

360.10564683999996 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₁₅H₂₀O₁₀

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canonical SMILES

O=C(OC1OC(CO)C(O)C(O)C1O)C2=CC(OC)=C(O)C(OC)=C2

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isomeric SMILES

COc1cc(C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O

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found in taxon

Acanthus ilicifolius

1 reference

stated in

Benzoxazinoid glucosides from Acanthus ilicifolius

Erigeron breviscapus

1 reference

stated in

A sesquiterpene and other constituents from Erigeron breviscapus

Sargentodoxa cuneata

1 reference

stated in

Chemical Constituents of the Stem of Sargentodoxa cuneata

Berchemia racemosa

1 reference

stated in

Aromatic glycosides from Berchemia racemosa

Berchemia floribunda

1 reference

stated in

Aromatic glycosides from Berchemia racemosa

Identifiers

InChI

InChI=1S/C15H20O10/c1-22-7-3-6(4-8(23-2)10(7)17)14(21)25-15-13(20)12(19)11(18)9(5-16)24-15/h3-4,9,11-13,15-20H,5H2,1-2H3/t9-,11-,12+,13-,15+/m1/s1

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InChIKey

CIYLTHWUJCCASO-APACUCGBSA-N

0 references

PubChem CID

14132346

2 references

stated in

PubChem

retrieved

26 December 2021

inferred from

InChIKey

matched by identifier from

InChIKey

InChIKey

CIYLTHWUJCCASO-APACUCGBSA-N

UniChem compound ID

9700159

1 reference

stated in

UniChem

 

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