LIPID MAPS

Structure Database (LMSD)

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Common Name

Petunoside

Systematic Name

3,5,7,4'-Tetrahydroxyflavone 3-(2"'-ferulylglucosyl) (1->2)-glucoside

Synonyms

LM ID

LMPK12111803

Formula

C₃₇H₃₈O₁₉

Exact Mass

Calculate m/z

786.200735

Status

Curated

Show lipids differing only in stereochemistry/bond geometry

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Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Viridiplantae (#33090)

Flavonoid imported from http://metabolomics.jp/

Petunia x hybrida (#4102)

Magnoliopsida (#3398)

Notizen: Konstitution des Petunosids,
Z Naturforschung B, 1965

DOI: 10.1515/znb-1965-0633

String Representations

InChiKey (Click to copy)

KFGIIYUDNPHGBJ-UGQSKFNOSA-N

InChi (Click to copy)

InChI=1S/C37H38O19/c1-50-21-10-15(2-8-19(21)42)3-9-25(44)54-34-30(48)27(45)23(13-38)52-36(34)56-35-31(49)28(46)24(14-39)53-37(35)55-33-29(47)26-20(43)11-18(41)12-22(26)51-32(33)16-4-6-17(40)7-5-16/h2-12,23-24,27-28,30-31,34-43,45-46,48-49H,13-14H2,1H3/b9-3+/t23-,24-,27-,28-,30+,31+,34-,35-,36+,37+/m1/s1

SMILES (Click to copy)

C1(O)=CC2OC(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O[C@H]4[C@H](OC(/C=C/C5C=CC(O)=C(OC)C=5)=O)[C@@H](O)[C@H](O)[C@@H](CO)O4)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1