Structure Database (LMSD)

Common Name
Folinin
Systematic Name
Synonyms
LM ID
LMPK12070024
Formula
C25H26O4
Exact Mass
Calculate m/z
390.18311
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GIJCKIAEOVPFOW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O4/c1-24(2)9-7-14-11-17-21(12-20(14)29-24)26-13-18-15-5-6-19-16(22(15)27-23(17)18)8-10-25(3,4)28-19/h5-6,8,10-12,18,23H,7,9,13H2,1-4H3
SMILES (Click to copy)
C12OC(C)(C)CCC1=CC1C3OC4=C5C=CC(C)(C)OC5=CC=C4C3COC=1C=2

Other Databases

METABOLOMICS ID
FLID1ANP0005
PubChem CID
44257438

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 6
Aromatic Rings 2
Rotatable Bonds 0
Van der Waals Molecular Volume 361.78
Topological Polar Surface Area 45.20
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.44
Molar Refractivity 112.77

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Updated at
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