Structure Database (LMSD)

HO O OH O O
Common Name
Minimiflorin
Systematic Name
Synonyms
LM ID
LMPK12140118
Formula
C25H26O5
Exact Mass
Calculate m/z
406.178025
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
IAKVRAMIQPWTDR-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O5/c1-14(2)9-10-17-23-16(11-12-25(3,4)30-23)22(28)21-19(27)13-20(29-24(17)21)15-7-5-6-8-18(15)26/h5-9,11-12,20,26,28H,10,13H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)CC(C3C(O)=CC=CC=3)OC=1C=2C/C=C(/C)\C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FA8NP0001
PubChem CID
21721830

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 390.01
Topological Polar Surface Area 80.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 5.78
Molar Refractivity 115.92

Admin

Created at
-
Updated at
-