Structure Database (LMSD)

Common Name
Luteolin 7-(3'''-acetylapiosyl-(1->2)-xyloside)
Systematic Name
Synonyms
LM ID
LMPK12110691
Formula
C27H28O15
Exact Mass
Calculate m/z
592.142825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DNMRXBPPCZJEAU-SOVYCBNNSA-N
InChi (Click to copy)
InChI=1S/C27H28O15/c1-11(29)42-27(9-28)10-38-26(24(27)36)41-23-22(35)18(34)8-37-25(23)39-13-5-16(32)21-17(33)7-19(40-20(21)6-13)12-2-3-14(30)15(31)4-12/h2-7,18,22-26,28,30-32,34-36H,8-10H2,1H3/t18-,22+,23-,24+,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O[C@H]3[C@H](O)[C@](CO3)(CO)OC(C)=O)[C@@H](O)[C@H](O)CO2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0056
PubChem CID
23267095

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 5
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 489.25
Topological Polar Surface Area 239.18
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 3.19
Molar Refractivity 142.66

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Created at
-
Updated at
2nd Jan 2022