Structure Database (LMSD)

Common Name
Scutellarein 6,7,4'-trimethyl ether 5-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111131
Formula
C24H26O11
Exact Mass
Calculate m/z
490.147515
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)
KOGPJTPYKUFLQN-MJALHYBGSA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-30-12-6-4-11(5-7-12)14-8-13(26)18-15(33-14)9-16(31-2)22(32-3)23(18)35-24-21(29)20(28)19(27)17(10-25)34-24/h4-9,17,19-21,24-25,27-29H,10H2,1-3H3/t17-,19-,20+,21-,24+/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1OC

Other Databases

METABOLOMICS ID
FL3FEAGS0027
PubChem CID
44258445

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 417.19
Topological Polar Surface Area 159.35
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 3.28
Molar Refractivity 125.13

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Created at
-
Updated at
18th Nov 2021