(Q82953309)

English

(2S,3R)-2-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one

chemical compound

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Statements

type of chemical entity

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chemical compound

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290.100167536 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

(2S,3R)-2-methyl-3-[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2S,3S)-2-methyl-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydropyran-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁₂H₁₈O₈

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canonical SMILES

CC1OC(=O)C=CC1OC1OC(CO)C(O)C(O)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C[C@H]1[C@@H](C=CC(=O)O1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

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Identifiers

InChI=1S/C12H18O8/c1-5-6(2-3-8(14)18-5)19-12-11(17)10(16)9(15)7(4-13)20-12/h2-3,5-7,9-13,15-17H,4H2,1H3/t5-,6+,7+,9+,10-,11+,12+/m0/s1

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KZOPXYPPFZYEHT-RKPZXMFYSA-N

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CAS Registry Number

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1 reference

matched by identifier from

KZOPXYPPFZYEHT-RKPZXMFYSA-N

UniChem compound ID

1 reference

DSSTox substance ID

1 reference

matched by identifier from

KZOPXYPPFZYEHT-RKPZXMFYSA-N

DSSTOX compound identifier

DTXCID901397720

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