(Q105233719)

English

[(1R)-6-oxocyclohex-2-ene-1-carbonyl] 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

(6-Oxocyclohex-2-ene-1-carbonyl) 2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

1 reference

based on heuristic

inferred from SMILES

mass

422.121296904 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₂₂O₁₀

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canonical SMILES

O=C(OC(=O)C1C=CCCC1=O)C=2C=CC=CC2OC3OC(CO)C(O)C(O)C3O

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isomeric SMILES

O=C(OC(=O)[C@@H]1C=CCCC1=O)c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Populus balsamifera

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stated in

Phenolic extractives of the leaves of Populus balsamifera and of P. trichocarpa

Salix purpurea

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stated in

Phenolic extractives of Salix purpurea bark

Populus candicans

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stated in

Phenolic extractives of the leaves of Populus balsamifera and of P. trichocarpa

Populus alba

1 reference

stated in

Phenolic extractives of the leaves of Populus balsamifera and of P. trichocarpa

Identifiers

InChI

InChI=1S/C20H22O10/c21-9-14-15(23)16(24)17(25)20(29-14)28-13-8-4-2-6-11(13)19(27)30-18(26)10-5-1-3-7-12(10)22/h1-2,4-6,8,10,14-17,20-21,23-25H,3,7,9H2/t10-,14-,15-,16+,17-,20-/m1/s1

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InChIKey

RCJQRJXIQCHVDY-YVBYILNMSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RCJQRJXIQCHVDY-YVBYILNMSA-N

(Q105233719)

[(1R)-6-oxocyclohex-2-ene-1-carbonyl] 2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate

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Identifiers

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