(Q105123969)

English

(2R,5S)-2-[(1R,2R,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

group of stereoisomers with the chemical formula C₂₀H₃₅NO₁₃

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instance of

group of stereoisomers

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subclass of

chemical compound

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mass

497.2108401799998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₀H₃₅NO₁₃

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canonical SMILES

OCC1=CC(NC2CC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O

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isomeric SMILES

OCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O[C@@H]3OC(CO)[C@@H](O)C(O)C3O)[C@H](O)C2O)[C@H](O)[C@@H](O)[C@@H]1O

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Identifiers

InChI

InChI=1S/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32)16(30)14(28)10(5-24)33-20/h1,7-32H,2-5H2/t7-,8+,9+,10?,11-,12+,13?,14-,15+,16?,17-,18?,19-,20+/m1/s1

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InChIKey

JARYYMUOCXVXNK-KIMQLNGNSA-N

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PubChem CID

139589210

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JARYYMUOCXVXNK-KIMQLNGNSA-N

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Natural Product Atlas ID

NPA021209

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based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

JARYYMUOCXVXNK-KIMQLNGNSA-N

(Q105123969)

(2R,5S)-2-[(1R,2R,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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