Structure Database (LMSD)

Common Name
Acacetin 7-O-alpha-L-rhamnopyranoside
Systematic Name
Synonyms
LM ID
LMPK12110458
Formula
C22H22O9
Exact Mass
Calculate m/z
430.126385
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)
SNYZBYGDUMJVSM-VOIWBUMZSA-N
InChi (Click to copy)
InChI=1S/C22H22O9/c1-10-19(25)20(26)21(27)22(29-10)30-13-7-14(23)18-15(24)9-16(31-17(18)8-13)11-3-5-12(28-2)6-4-11/h3-10,19-23,25-27H,1-2H3/t10-,19-,20+,21+,22-/m0/s1
SMILES (Click to copy)
C1(O)C=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C=C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=12

Other Databases

METABOLOMICS ID
FL3FABGS0014
PubChem CID
102442676

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 365.01
Topological Polar Surface Area 140.89
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 9
logP 3.71
Molar Refractivity 111.79

Admin

Created at
-
Updated at
21st Dec 2021