(Q105006789)

English

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

1 reference

based on heuristic

inferred from SMILES

mass

558.231241276 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

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

1 reference

based on heuristic

inferred from InChI

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

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₃₈O₁₃

0 references

canonical SMILES

OCCCC=CC(OC1OC(COC2OC(CO)C(O)C(O)C2O)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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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

Pratia nummularia

1 reference

stated in

Polyacetylene glycosides from Pratia nummularia cultures

Lobelia nummularia

1 reference

stated in

Polyacetylene glycosides from Pratia nummularia cultures

Identifiers

InChI

InChI=1S/C26H38O13/c1-2-3-4-5-7-10-15(29)16(11-8-6-9-12-27)37-26-24(35)22(33)20(31)18(39-26)14-36-25-23(34)21(32)19(30)17(13-28)38-25/h2-3,8,11,15-35H,6,9,12-14H2,1H3/b3-2+,11-8+/t15-,16-,17+,18-,19+,20+,21-,22+,23+,24-,25+,26-/m0/s1

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InChIKey

GDLSOFWVVAOUJI-IXZKTDGYSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

GDLSOFWVVAOUJI-IXZKTDGYSA-N

1 reference

(Q105006789)

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

Statements

Identifiers

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