LIPID MAPS

Structure Database (LMSD)

View 3D

Download as... MDLMOL SDF CSV TSV PNG

Common Name

Heteranthin

Systematic Name

Methyl-3-oxo-12'-apo-ε,psi-caroten-12'-oate

Synonyms

LM ID

LMPR01070602

Formula

C₂₆H₃₄O₃

Exact Mass

Calculate m/z

394.250795

Status

Active

Show lipids differing only in stereochemistry/bond geometry

Main

Classification

String Representations

InChiKey (Click to copy)

NRLVZXUWVPUCFW-WFCITUQGSA-N

InChi (Click to copy)

InChI=1S/C26H34O3/c1-19(11-8-9-14-21(3)25(28)29-7)12-10-13-20(2)15-16-24-22(4)17-23(27)18-26(24,5)6/h8-17,24H,18H2,1-7H3/b9-8+,12-10+,16-15+,19-11+,20-13+,21-14+/t24-/m1/s1

SMILES (Click to copy)

C1(C)(C)[C@H](/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(\C)/C(=O)OC)C(C)=CC(=O)C1

References

Comments

Imported from http://carotenoiddb.jp/

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Ditaxis (#316754)

Magnoliopsida (#3398)

C-26 and C-30 apocarotenoids from seeds of Ditaxis heterantha with antioxidant activity and protection against DNA oxidative damage.,
J Nat Prod, 2006

Pubmed ID: 16933864