Structure Database (LMSD)

Common Name
Skullcapflavone I 2'-O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111299
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Curated
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)
UIDKZSCQWVGRNB-PUIBNRJISA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-15-8-12(26)17-11(25)7-14(32-22(17)21(15)31-2)10-5-3-4-6-13(10)33-23-20(29)19(28)18(27)16(9-24)34-23/h3-8,16,18-20,23-24,26-29H,9H2,1-2H3/t16-,18-,19+,20-,23-/m1/s1
SMILES (Click to copy)
C1(OC)C(OC)=C2OC(C3C=CC=CC=3O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL3FF8GS0010
PubChem CID
100984956

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 170.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.98
Molar Refractivity 120.24

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Created at
-
Updated at
1st Dec 2021