(Q105331535)

English

(4S,5S)-4,5-Dihydroxy-4-[2-(beta-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one

chemical compound

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instance of

type of chemical entity

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subclass of

4,5-Dihydroxy-4-[2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]cyclohex-2-en-1-one

1 reference

based on heuristic

inferred from SMILES

mass

334.126382284 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₄H₂₂O₉

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canonical SMILES

O=C1C=CC(O)(CCOC2OC(CO)C(O)C(O)C2O)C(O)C1

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isomeric SMILES

O=C1C=C[C@@](O)(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1

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found in taxon

Millingtonia hortensis

1 reference

stated in

Cyclohexylethanoids and related glucosides from Millingtonia hortensis

Identifiers

InChI

InChI=1S/C14H22O9/c15-6-8-10(18)11(19)12(20)13(23-8)22-4-3-14(21)2-1-7(16)5-9(14)17/h1-2,8-13,15,17-21H,3-6H2/t8-,9+,10-,11+,12-,13-,14-/m1/s1

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InChIKey

XNAJLGDVEHBLFR-GDJPEOAQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

XNAJLGDVEHBLFR-GDJPEOAQSA-N

1 reference

(Q105331535)

(4S,5S)-4,5-Dihydroxy-4-[2-(beta-D-glucopyranosyloxy)ethyl]-2-cyclohexen-1-one

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