LIPID MAPS

Structure Database (LMSD)

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Common Name

Violaxanthin laurate myristate

Systematic Name

(3S,5R,6S,3'S,5'R,6'S)-5,6:5',6'-Diepoxy-5,6,5',6'-tetrahydro-β,β-carotene-3-laurate-3'-myristate

Synonyms

LM ID

LMPR01070738

Formula

C₆₆H₁₀₄O₆

Exact Mass

Calculate m/z

992.78329

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Malus domestica (#3750)

Magnoliopsida (#3398)

Chlorophyll and carotenoid pigments in the peel and flesh of commercial apple fruit varieties,
Food Res Int, 2014

DOI: 10.1016/j.foodres.2014.03.025

String Representations

InChiKey (Click to copy)

UEWKGZGBKDERGQ-PFUITCLQSA-N

InChi (Click to copy)

InChI=1S/C66H104O6/c1-13-15-17-19-21-23-24-26-28-30-32-44-60(68)70-58-50-62(9,10)66(64(12,52-58)72-66)48-46-56(6)42-36-40-54(4)38-34-33-37-53(3)39-35-41-55(5)45-47-65-61(7,8)49-57(51-63(65,11)71-65)69-59(67)43-31-29-27-25-22-20-18-16-14-2/h33-42,45-48,57-58H,13-32,43-44,49-52H2,1-12H3/b34-33+,39-35+,40-36+,47-45+,48-46+,53-37+,54-38+,55-41+,56-42+/t57-,58-,63+,64+,65-,66-/m0/s1

SMILES (Click to copy)

C1C(C)(C)[C@@]2(O[C@]2(C)C[C@H]1OC(CCCCCCCCCCC)=O)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](OC(CCCCCCCCCCCCC)=O)CC2(C)C