Structure Database (LMSD)

O O O
Common Name
(-)-Isolonchocarpin
Systematic Name
Synonyms
LM ID
LMPK12140015
Formula
C20H18O3
Exact Mass
Calculate m/z
306.125595
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)
GJRSGESHUAFWMY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H18O3/c1-20(2)11-10-15-17(23-20)9-8-14-16(21)12-18(22-19(14)15)13-6-4-3-5-7-13/h3-11,18H,12H2,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)CC(=O)C=1C=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2F19NP0001
PubChem CID
12311091

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 4
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 288.57
Topological Polar Surface Area 39.67
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 4.86
Molar Refractivity 89.45

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Updated at
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