(Q105138742)

English

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2Z,8E)-deca-2,8-dien-4,6-diynoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

2-[2-Deca-2,8-dien-4,6-diynoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

470.17881178 dalton

1 reference

1 reference

C₂₂H₃₀O₁₁

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canonical SMILES

OCC1OC(OC2C(O)C(O)C(OC2OCC=CC#CC#CC=CC)CO)C(O)C(O)C1O

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isomeric SMILES

C/C=C/C#CC#C/C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

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found in taxon

Aster yunnanensis

1 reference

stated in

Triterpenoid saponins from Aster batangensis

Identifiers

InChI

InChI=1S/C22H30O11/c1-2-3-4-5-6-7-8-9-10-30-22-20(18(28)16(26)14(12-24)32-22)33-21-19(29)17(27)15(25)13(11-23)31-21/h2-3,8-9,13-29H,10-12H2,1H3/b3-2+,9-8-/t13-,14-,15-,16-,17+,18+,19-,20-,21+,22-/m1/s1

0 references

InChIKey

KCHIICSPISZNAW-HTMDOYFESA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

KCHIICSPISZNAW-HTMDOYFESA-N

(Q105138742)

(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2Z,8E)-deca-2,8-dien-4,6-diynoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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Identifiers

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