(Q105229911)

English

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

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[1-Octadeca-9,12-dienoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] octadecanoate

1 reference

based on heuristic

inferred from SMILES

mass

944.643622244 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₅₁H₉₂O₁₅

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canonical SMILES

O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)CCCCCCCC=CCC=CCCCCC

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isomeric SMILES

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[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)OC(=O)CCCCCCCCCCCCCCCCC

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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/C51H92O15/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-42(53)61-36-39(64-43(54)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-62-50-49(60)47(58)45(56)41(66-50)38-63-51-48(59)46(57)44(55)40(35-52)65-51/h11,13,17,19,39-41,44-52,55-60H,3-10,12,14-16,18,20-38H2,1-2H3/b13-11-,19-17-/t39-,40+,41+,44-,45-,46-,47-,48+,49+,50+,51-/m0/s1

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InChIKey

QXVFHWYVDNWHSU-QUSKYSCQSA-N

0 references

1 reference

17 September 2022

inferred from InChIKey

(Q105229911)

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

Statements

Identifiers

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