LIPID MAPS

Structure Database (LMSD)

Download as... MDLMOL SDF CSV TSV PNG SVG

Common Name

Myxol 2'-glycoside

Systematic Name

2'-(β-D-Glucopyranosyloxy)-3',4'-didehydro-1',2'-dihydro-β,psi-carotene-3,1'-diol

Synonyms

LM ID

LMPR01070546

Formula

C₄₆H₆₆O₈

Exact Mass

Calculate m/z

746.475771

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

String Representations

InChiKey (Click to copy)

VJHXSZGYVIKVEU-BILDEZMISA-N

InChi (Click to copy)

InChI=1S/C46H66O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-38-36(6)28-37(48)29-45(38,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(46(9,10)52)54-44-43(51)42(50)41(49)39(30-47)53-44/h11-27,37,39-44,47-52H,28-30H2,1-10H3/b12-11+,18-13+,19-14+,21-15+,26-24+,27-25+,31-16+,32-17+,33-20+,34-22+,35-23+/t37-,39-,40?,41-,42+,43-,44+/m1/s1

SMILES (Click to copy)

C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)C[C@H](CC1(C)C)O)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(C(C)(C)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O