Structure Database (LMSD)

Common Name
Dihydrocordoin
Systematic Name
Synonyms
LM ID
LMPK12120441
Formula
C20H22O3
Exact Mass
Calculate m/z
310.156895
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PYMCFHVCMWMRLO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H22O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-7,9-10,12,14,22H,8,11,13H2,1-2H3
SMILES (Click to copy)
C1(OC/C=C(\C)/C)C=CC(C(=O)CCC2C=CC=CC=2)=C(O)C=1

Other Databases

CHEBI ID
169066
METABOLOMICS ID
FL1D19NI0001
PubChem CID
42607665

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 313.29
Topological Polar Surface Area 46.53
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 3
logP 4.84
Molar Refractivity 92.62

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Updated at
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