(Q104917948)

English

(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-3-{[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy}oxane-2-carboxylic acid

chemical compound

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instance of

type of chemical entity

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subclass of

4,5-Dihydroxy-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-3-(3,4,5-trihydroxy-4,6-dimethyloxan-2-yl)oxyoxane-2-carboxylic acid

1 reference

based on heuristic

inferred from SMILES

mass

516.169034944 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₁₉H₃₂O₁₆

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canonical SMILES

O=C(O)C1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OC3OC(C)C(O)C(O)(C)C3O

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isomeric SMILES

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](C(=O)O)O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@](C)(O)[C@H]1O

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found in taxon

Anadenanthera colubrina

1 reference

stated in

The free reducing oligosaccharides of angico branco (Anadenanthera colubrina) gum exudate: an aid for structural assignments in the heteropolysaccharide

Identifiers

InChI

InChI=1S/C19H32O16/c1-4-13(25)19(2,30)14(26)18(32-4)34-11-8(22)10(24)17(35-12(11)15(27)28)31-3-5-6(20)7(21)9(23)16(29)33-5/h4-14,16-18,20-26,29-30H,3H2,1-2H3,(H,27,28)/t4-,5+,6-,7-,8+,9+,10+,11-,12-,13-,14-,16+,17+,18-,19+/m0/s1

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InChIKey

ASNCDPXYVZJTCM-IBAISABMSA-N

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(Q104917948)

(2S,3S,4R,5R,6R)-4,5-dihydroxy-6-{[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}-3-{[(2S,3R,4R,5S,6S)-3,4,5-trihydroxy-4,6-dimethyloxan-2-yl]oxy}oxane-2-carboxylic acid

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