(Q105246947)

English

[5-[[6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-[(2-methoxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

group of stereoisomers with the chemical formula C₄₃H₅₁NO₂₁

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instance of

group of stereoisomers

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1 reference

917.8608 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₃H₅₁NO₂₁

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canonical SMILES

N#CC(OC1OC(COC2OCC(O)(COC(=O)C3=COC(OC4OC(COC(=O)C=5C=CC=CC5OC)C(O)C(O)C4O)C6C(=CCC36)CO)C2O)C(O)C(O)C1O)C=7C=CC=CC7

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Identifiers

InChI

InChI=1S/C43H51NO21/c1-56-25-10-6-5-9-23(25)37(53)57-16-27-30(46)33(49)35(51)41(64-27)65-39-29-21(14-45)11-12-22(29)24(15-58-39)38(54)60-18-43(55)19-61-42(36(43)52)59-17-28-31(47)32(48)34(50)40(63-28)62-26(13-44)20-7-3-2-4-8-20/h2-11,15,22,26-36,39-42,45-52,55H,12,14,16-19H2,1H3

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InChIKey

RXDKUDGWPCFXLG-UHFFFAOYSA-N

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PubChem CID

85221117

1 reference

based on heuristic

inferred from InChIKey

(Q105246947)

[5-[[6-[Cyano(phenyl)methoxy]-3,4,5-trihydroxyoxan-2-yl]methoxy]-3,4-dihydroxyoxolan-3-yl]methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-[(2-methoxybenzoyl)oxymethyl]oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate

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