(Q105351096)

English

[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

chemical compound

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instance of

type of chemical entity

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subclass of

[1-Octadeca-9,12,15-trienoyloxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from SMILES

mass

776.543848632 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2S)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₅H₇₆O₁₀

0 references

canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC1OC(CO)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC

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isomeric SMILES

CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

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found in taxon

Capsicum annuum

1 reference

stated in

Analysis of molecular species of glycolipids in fruit pastes of red bell pepper (Capsicum annuum L.) by high-performance liquid chromatography-mass spectrometry

Identifiers

InChI

InChI=1S/C45H76O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,38-39,42-46,49-51H,3-4,6,8-10,15-16,21-37H2,1-2H3/b7-5-,13-11-,14-12-,19-17-,20-18-/t38-,39+,42-,43-,44+,45+/m0/s1

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InChIKey

YNSRHGCGBFCDGK-HARNWUIMSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YNSRHGCGBFCDGK-HARNWUIMSA-N

(Q105351096)

[(2R)-1-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate

Statements

Identifiers

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