LIPID MAPS

Structure Database (LMSD)

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Common Name

Thonningianin B

Systematic Name

(10S,11R,12R,13S,15R)-13-(3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo(17.4.0.02,7.010,15)tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione

Synonyms

LM ID

LMPK12120466

Formula

C₃₅H₃₀O₁₇

Exact Mass

Calculate m/z

722.148306

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

View NP-MRD ID(NMR) spectrum

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Thonningia sanguinea (#1618145)

Magnoliopsida (#3398)

Thonningianins A and B, new antioxidants from the African medicinal herb Thonningia sanguinea.,
J Nat Prod, 2000

Pubmed ID: 10843586

DOI: 10.1021/np990396w

String Representations

InChiKey (Click to copy)

UJNCWORGHSATHA-XWSAIMBSSA-N

InChi (Click to copy)

InChI=1S/C35H30O17/c36-17(7-6-13-4-2-1-3-5-13)25-18(37)8-14(9-19(25)38)50-35-31(46)30(45)32-22(51-35)12-49-33(47)15-10-20(39)26(41)28(43)23(15)24-16(34(48)52-32)11-21(40)27(42)29(24)44/h1-5,8-11,22,30-32,35,37-46H,6-7,12H2/t22-,30-,31-,32-,35-/m1/s1

SMILES (Click to copy)

C1(C(=O)CCC2C=CC=CC=2)C(O)=CC(O[C@H]2[C@H](O)[C@@H](O)[C@@H]3OC(=O)C4C=C(O)C(O)=C(O)C=4C4C(O)=C(O)C(O)=CC=4C(=O)OC[C@H]3O2)=CC=1O