Structure Database (LMSD)

O OH HO O O O
Systematic Name
5,2'-Dihydroxy-7-methoxy-6,8-dimethyl-4',5'-methylenedioxyflavan
Synonyms
LM ID
LMPK12020269
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

String Representations

InChiKey (Click to copy)
OOZKPSALBMDMMI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-9-17(21)11-4-5-14(25-19(11)10(2)18(9)22-3)12-6-15-16(7-13(12)20)24-8-23-15/h6-7,14,20-21H,4-5,8H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C(O)=CC4OCOC=4C=3)CCC=2C(O)=C1C

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL6FALNM0001
PubChem CID
44257195

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 302.92
Topological Polar Surface Area 83.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.52
Molar Refractivity 90.05

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Updated at
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