Structure Database (LMSD)

Common Name
Luteolin 7,3'-dimethyl ether 4'-apiosyl-(1->2)-glucoside
Systematic Name
2-[4-[(2-O-D-Apio-β-D-furanosyl-β-D-glucopyranosyl)oxy]-3-methoxyphenyl]-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Synonyms
  • Homoflavoyadorinin B
LM ID
LMPK12111052
Formula
C28H32O15
Exact Mass
Calculate m/z
608.174125
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
HXGMFRZFNQCALH-HMZWGCPASA-N
InChi (Click to copy)
InChI=1S/C28H32O15/c1-37-13-6-14(31)21-15(32)8-17(40-19(21)7-13)12-3-4-16(18(5-12)38-2)41-26-24(23(34)22(33)20(9-29)42-26)43-27-25(35)28(36,10-30)11-39-27/h3-8,20,22-27,29-31,33-36H,9-11H2,1-2H3/t20-,22-,23+,24-,25+,26-,27+,28-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(O[C@H]4[C@H](O[C@H]5[C@H](O)[C@](CO)(O)CO5)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3FCDGS0004
PubChem CID
14376380

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 509.19
Topological Polar Surface Area 231.34
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 15
logP 2.87
Molar Refractivity 149.41

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Created at
-
Updated at
17th Jun 2024