(Q105377795)

English

(2R,3R,4R,5R,6S)-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-methyloxane-3,4,5-triol

chemical compound

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type of chemical entity

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subclass of

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

1 reference

1 reference

2-[[6-(1,7-Dihydroxytetradeca-4,12-dien-8,10-diyn-6-yloxy)-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol

1 reference

based on heuristic

inferred from SMILES

mass

542.236326656 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₆H₃₈O₁₂

0 references

canonical SMILES

OCCCC=CC(OC1OC(COC2OC(C)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](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

0 references

found in taxon

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/C26H38O12/c1-3-4-5-6-8-11-16(28)17(12-9-7-10-13-27)37-26-24(34)22(32)20(30)18(38-26)14-35-25-23(33)21(31)19(29)15(2)36-25/h3-4,9,12,15-34H,7,10,13-14H2,1-2H3/b4-3+,12-9+/t15-,16+,17-,18+,19-,20+,21+,22-,23+,24+,25+,26+/m0/s1

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InChIKey

ZJCWKPYYOCTDJH-CSUMMNTNSA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

ZJCWKPYYOCTDJH-CSUMMNTNSA-N

(Q105377795)

(2R,3R,4R,5R,6S)-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-methyloxane-3,4,5-triol

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