Structure Database (LMSD)

O OH O O
Common Name
4'-Hydroxyisolonchocarpin
Systematic Name
Synonyms
LM ID
LMPK12140073
Formula
C20H18O4
Exact Mass
Calculate m/z
322.12051
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)
AXHFLNLBMFDETO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O4/c1-20(2)10-9-15-17(24-20)8-7-14-16(22)11-18(23-19(14)15)12-3-5-13(21)6-4-12/h3-10,18,21H,11H2,1-2H3
SMILES (Click to copy)
C1C2OC(C)(C)C=CC=2C2OC(C3C=CC(O)=CC=3)CC(=O)C=2C=1

References

Taxonomy Information

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

Other Databases

CHEBI ID
187545
METABOLOMICS ID
FL2F1CNP0002
PubChem CID
14353465

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 297.36
Topological Polar Surface Area 59.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 4.57
Molar Refractivity 91.12

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Updated at
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