Structure Database (LMSD)

Common Name
Isoderricidin
Systematic Name
Synonyms
LM ID
LMPK12140010
Formula
C20H20O3
Exact Mass
Calculate m/z
308.141245
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
GIXIYAFVCREOAY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O3/c1-14(2)10-11-22-16-8-9-17-18(21)13-19(23-20(17)12-16)15-6-4-3-5-7-15/h3-10,12,19H,11,13H2,1-2H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)=CC2OC(C3C=CC=CC=3)CC(=O)C=2C=C1

Other Databases

CHEBI ID
196255
METABOLOMICS ID
FL2F19NI0001
PubChem CID
12310896

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 300.93
Topological Polar Surface Area 37.60
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 3
logP 5.02
Molar Refractivity 90.62

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Updated at
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