(Q105167890)

English

(2R,3R,4S,5R,6R)-2-[(4E,6R,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

chemical compound

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type of chemical entity

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1 reference

(2R,3R,4R,5S,6R)-2-(1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-(1,7-Dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

2-{[(4E,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

396.178417856 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(2R,3R,4S,5S,6R)-2-[(6R,7R)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2R,3R,4S,5S,6R)-2-[(4E,6S,7R,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

based on heuristic

inferred from InChI

(2S,3S,4R,5R,6S)-2-[(4E,6S,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

1 reference

1 reference

C₂₀H₂₈O₈

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canonical SMILES

OCCCC=CC(OC1OC(CO)C(O)C(O)C1O)C(O)C#CC#CC=CC

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isomeric SMILES

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

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found in taxon

Codonopsis clematidea

1 reference

stated in

New alkaloid from the aerial parts of Codonopsis clematidea

Lobelia nummularia

1 reference

stated in

Polyacetylene glycosides from Pratia nummularia cultures

Pratia nummularia

1 reference

stated in

Polyacetylene glycosides from Pratia nummularia cultures

Identifiers

InChI

InChI=1S/C20H28O8/c1-2-3-4-5-7-10-14(23)15(11-8-6-9-12-21)27-20-19(26)18(25)17(24)16(13-22)28-20/h2-3,8,11,14-26H,6,9,12-13H2,1H3/b3-2+,11-8+/t14-,15+,16+,17-,18-,19+,20+/m0/s1

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InChIKey

MMMUDYVKKPDZHS-AHLKWHTGSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

MMMUDYVKKPDZHS-AHLKWHTGSA-N

1 reference

(Q105167890)

(2R,3R,4S,5R,6R)-2-[(4E,6R,7S,12E)-1,7-dihydroxytetradeca-4,12-dien-8,10-diyn-6-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

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