(Q110077250)

English

(3S,4R,4aR)-4-[(1S)-1,2-dihydroxyethyl]-4a-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one

chemical compound

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instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

408.126776208 dalton

1 reference

2 references

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₁₆H₂₄O₁₂

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canonical SMILES

O=C1OCCC2(O)C1=COC(OC3OC(CO)C(O)C(O)C3O)C2C(O)CO

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isomeric SMILES

O=C1OCC[C@]2(O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@@H]2[C@H](O)CO

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found in taxon

Gentiana straminea

1 reference

stated in

Traceability of Geographical Origin in Gentiana straminea by UPLC-Q Exactive Mass and Multivariate Analyses

Identifiers

InChI

InChI=1S/C16H24O12/c17-3-7(19)9-14(26-5-6-13(23)25-2-1-16(6,9)24)28-15-12(22)11(21)10(20)8(4-18)27-15/h5,7-12,14-15,17-22,24H,1-4H2/t7-,8-,9+,10-,11+,12+,14+,15+,16+/m1/s1

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InChIKey

GYWSUCYZXMXNFD-MEGNDCMPSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GYWSUCYZXMXNFD-MEGNDCMPSA-N

(Q110077250)

(3S,4R,4aR)-4-[(1S)-1,2-dihydroxyethyl]-4a-hydroxy-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one

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Identifiers

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