(Q105225827)

English

[(2R,3S,4S,5R,6R)-6-[(2S)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

chemical compound

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Statements

instance of

type of chemical entity

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subclass of

[6-[2,3-Di(octadeca-9,12,15-trienoyloxy)propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from SMILES

mass

1,034.742214084 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

[(2R,3R,4S,5R,6R)-6-[(2S)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₆₃H₁₀₂O₁₁

0 references

canonical SMILES

O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC1OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)C(O)C(O)C1O)CCCCCCCC=CCC=CCC=CCC

0 references

isomeric SMILES

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

0 references

found in taxon

Acca sellowiana

1 reference

stated in

Secondary metabolites from the leaves of Feijoa sellowiana Berg

Feijoa sellowiana

1 reference

stated in

Secondary metabolites from the leaves of Feijoa sellowiana Berg

Identifiers

InChI

InChI=1S/C63H102O11/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-57(64)70-52-55(73-59(66)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-72-63-62(69)61(68)60(67)56(74-63)54-71-58(65)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-30,55-56,60-63,67-69H,4-6,13-15,22-24,31-54H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,30-27-/t55-,56-,60-,61 ,62-,63-/m1/s1

0 references

InChIKey

QQGVNVSYEVFKPN-BXAVAHLASA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

QQGVNVSYEVFKPN-BXAVAHLASA-N

(Q105225827)

[(2R,3S,4S,5R,6R)-6-[(2S)-2,3-bis[[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy]propoxy]-3,4,5-trihydroxyoxan-2-yl]methyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

Statements

Identifiers

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