LIPID MAPS

Structure Database (LMSD)

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Common Name

Methoxyspheroidenone

Systematic Name

1,1'-Dimethoxy-3,4-didehydro-1,2,1',2',7',8'-hexahydro-psi,psi-caroten-2-one

Synonyms

LM ID

LMPR01070489

Formula

C₄₂H₆₂O₃

Exact Mass

Calculate m/z

614.469896

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Cereibacter sphaeroides (#1063)

Alphaproteobacteria (#28211)

Methoxyspheroidene and methoxyspheroidenone, two carotenoids from Rhodopseudomonas spheroides,
Phytochemistry, 1976

DOI: 10.1016/S0031-9422(00)88858-5

String Representations

InChiKey (Click to copy)

DUHDYFGXWSZKKS-HHIGAVIFSA-N

InChi (Click to copy)

InChI=1S/C42H62O3/c1-34(22-15-24-36(3)26-17-28-38(5)30-19-33-41(7,8)44-11)20-13-14-21-35(2)23-16-25-37(4)27-18-29-39(6)31-32-40(43)42(9,10)45-12/h13-16,18,20-25,27-29,31-32H,17,19,26,30,33H2,1-12H3/b14-13+,22-15+,23-16+,27-18+,32-31+,34-20+,35-21+,36-24+,37-25+,38-28+,39-29+

SMILES (Click to copy)

C(=C(/C)\C=C\C(=O)C(C)(C)OC)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C=C/C=C(\C)/CC/C=C(\C)/CCCC(C)(OC)C