(Q105175110)

English

(3R,4S,4aS)-4-[(1S)-1-hydroxyethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

4-(1-hydroxyethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from SMILES

mass

376.136946968 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

3beta-(beta-D-Glucopyranosyloxy)-4alpha-[(S)-1-hydroxyethyl]-4,4abeta,5,6-tetrahydro-3H,8H-pyrano[3,4-c]pyran-8-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₁₀

0 references

canonical SMILES

O=C1OCCC2C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)C

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isomeric SMILES

C[C@H](O)[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

Gentiana tibetica

1 reference

stated in

Secoiridoid glycosides and an antifungal anthranilate derivative from Gentiana tibetica

Identifiers

InChI

InChI=1S/C16H24O10/c1-6(18)10-7-2-3-23-14(22)8(7)5-24-15(10)26-16-13(21)12(20)11(19)9(4-17)25-16/h5-7,9-13,15-21H,2-4H2,1H3/t6-,7+,9+,10+,11+,12-,13+,15+,16-/m0/s1

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InChIKey

MYQCQYWRQBLOTC-YRYXCMKDSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MYQCQYWRQBLOTC-YRYXCMKDSA-N

(Q105175110)

(3R,4S,4aS)-4-[(1S)-1-hydroxyethyl]-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-8-one

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