Structure Database (LMSD)

Common Name
Depressonol A
Systematic Name
Synonyms
  • Kaempferol 3-glucosyl-(1->4)-galactoside-7-alpha-L-arabinofuranoside
LM ID
LMPK12111926
Formula
C32H38O20
Exact Mass
Calculate m/z
742.19565
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/
Corchorus depressus (#1051386)
Magnoliopsida (#3398)
New Cycloartane and Flavonol Glycosides from Corchorus depressus,
Helv Chim Acta, 2002

String Representations

InChiKey (Click to copy)
MRJXIMABWBSTFM-UDARYSMHSA-N
InChi (Click to copy)
InChI=1S/C32H38O20/c33-7-15-19(38)22(41)25(44)31(49-15)51-28-17(9-35)50-32(26(45)23(28)42)52-29-21(40)18-13(37)5-12(46-30-24(43)20(39)16(8-34)48-30)6-14(18)47-27(29)10-1-3-11(36)4-2-10/h1-6,15-17,19-20,22-26,28,30-39,41-45H,7-9H2/t15-,16+,17-,19-,20+,22+,23-,24-,25-,26-,28+,30-,31+,32+/m1/s1
SMILES (Click to copy)
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](CO)O2)C(=O)C2C(O)=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](CO)O3)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FAAGS0091
PubChem CID
11061627

Calculated Physicochemical Properties

Heavy Atoms 52
Rings 6
Aromatic Rings 3
Rotatable Bonds 10
Van der Waals Molecular Volume 609.98
Topological Polar Surface Area 334.56
Hydrogen Bond Donors 12
Hydrogen Bond Acceptors 20
logP 1.46
Molar Refractivity 175.41

Admin

Created at
-
Updated at
7th Jan 2022