(Q120250623)

English

3R-hydroxy-9R-((1H-indol-3-ylcarbonyl)3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-decanoic acid

chemical compound

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No label defined

No description defined

Statements

type of chemical entity

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chemical compound

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477.23626708 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

stereoisomer of

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based on heuristic

inferred from InChI

chemical formula

C₂₅H₃₅NO₈

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CC(CCCCCC(O)CC(=O)O)OC1OC(C)C(OC(=O)c2c[nH]c3ccccc23)CC1O

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isomeric SMILES

O([C@@H](CCCCC[C@H](O)CC(=O)O)C)[C@H]1[C@H](O)C[C@@H](OC(=O)C2=CNC3C=CC=CC=32)[C@H](C)O1

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Identifiers

InChI=1S/C25H35NO8/c1-15(8-4-3-5-9-17(27)12-23(29)30)32-25-21(28)13-22(16(2)33-25)34-24(31)19-14-26-20-11-7-6-10-18(19)20/h6-7,10-11,14-17,21-22,25-28H,3-5,8-9,12-13H2,1-2H3,(H,29,30)/t15-,16+,17+,21-,22-,25-/m1/s1

1 reference

based on heuristic

inferred from SMILES

KNTSMTUFIKIJQO-HGAUGMLMSA-N

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based on heuristic

inferred from SMILES

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