Structure Database (LMSD)

O O O O O OH
Common Name
7a-O-Methyldeguelol
Systematic Name
Synonyms
LM ID
LMPK12060058
Formula
C23H24O6
Exact Mass
Calculate m/z
396.15729
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

String Representations

InChiKey (Click to copy)
SYOGFYMIPOYTIT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O6/c1-23(2)9-7-14-17(29-23)6-5-15(22(14)25)21(24)13-8-10-28-18-12-20(27-4)19(26-3)11-16(13)18/h5-7,9,11-13,25H,8,10H2,1-4H3
SMILES (Click to copy)
C1C=C2OC(C)(C)C=CC2=C(O)C=1C(=O)C1CCOC2C=C(OC)C(OC)=CC1=2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FLIFUNNF0001
PubChem CID
44257419

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 366.84
Topological Polar Surface Area 78.36
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.91
Molar Refractivity 109.58

Admin

Created at
-
Updated at
-