(Q105160764)

English

(1R,2S,3R)-1-[6-[(2R,3S)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol

chemical compound

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instance of

type of chemical entity

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304.12705098 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₂H₂₀N₂O₇

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canonical SMILES

OCC(O)C(O)CC=1N=C(C=NC1)C(O)C(O)C(O)CO

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isomeric SMILES

OC[C@H](O)[C@H](O)Cc1cncc([C@@H](O)[C@H](O)[C@H](O)CO)n1

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found in taxon

Gynura divaricata

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stated in

A new cerebroside from Gynura divaricata

Identifiers

InChI

InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-13-3-7(14-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9+,10-,11-,12-/m1/s1

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InChIKey

MBHUNOHYVYVNIP-IYKVGLELSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MBHUNOHYVYVNIP-IYKVGLELSA-N

(Q105160764)

(1R,2S,3R)-1-[6-[(2R,3S)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol

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