LIPID MAPS

Structure Database (LMSD)

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Common Name

4-Ketophleixanthophyll

Systematic Name

1'-(β-D-Glucopyranosyloxy)-2'-hydroxy-3',4'-didehydro-1',2'-dihydro-β,psi-caroten-4-one

Synonyms

LM ID

LMPR01070581

Formula

C₄₆H₆₄O₈

Exact Mass

Calculate m/z

744.46012

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Mycolicibacterium phlei (#1771)

Actinomycetes (#1760)

Bacterial carotenoids XX. The carotenoids of Mycobacterium phlei strain Vera. 2. The structures of the phlei-xanthophylls--two novel tertiary glucosides.,
Acta Chem Scand, 1967

Pubmed ID: 4291656

String Representations

InChiKey (Click to copy)

WIIAAEMYMGPGLU-DOBHEWIWSA-N

InChi (Click to copy)

InChI=1S/C46H64O8/c1-31(16-11-12-17-32(2)19-14-22-34(4)24-26-37-36(6)38(48)28-29-45(37,7)8)18-13-20-33(3)21-15-23-35(5)25-27-40(49)46(9,10)54-44-43(52)42(51)41(50)39(30-47)53-44/h11-27,39-44,47,49-52H,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+/t39-,40?,41-,42+,43-,44+/m1/s1

SMILES (Click to copy)

C1C(C)(C)C(/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C(O)C(C)(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C)=C(C)C(=O)C1