Structure Database (LMSD)

Common Name
Matteucinol 7-O-glucoside
Systematic Name
(S) -2,3-Dihydro-7- (β-D-glucopyranosyloxy) -5-hydroxy-2- (4-methoxyphenyl) -6,8-dimethyl-4H-1-benzopyran-4-one
Synonyms
LM ID
LMPK12140328
Formula
C24H28O10
Exact Mass
Calculate m/z
476.16825
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
HPXOUFFMSLZOLE-WUQIJIJDSA-N
InChi (Click to copy)
InChI=1S/C24H28O10/c1-10-18(27)17-14(26)8-15(12-4-6-13(31-3)7-5-12)32-23(17)11(2)22(10)34-24-21(30)20(29)19(28)16(9-25)33-24/h4-7,15-16,19-21,24-25,27-30H,8-9H2,1-3H3/t15-,16+,19+,20-,21+,24-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C(C)C2O[C@H](C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL2FABGM0001
PubChem CID
10457684

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 421.94
Topological Polar Surface Area 159.28
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 10
logP 2.62
Molar Refractivity 120.34

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Created at
-
Updated at
13th Apr 2022