Structure Database (LMSD)

Common Name
Epoxycandidone
Systematic Name
Synonyms
LM ID
LMPK12140181
Formula
C22H24O5
Exact Mass
Calculate m/z
368.162375
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)
DGYXPQJZXKXNTL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H24O5/c1-22(2)19(27-22)10-14-17(24-3)12-18(25-4)20-15(23)11-16(26-21(14)20)13-8-6-5-7-9-13/h5-9,12,16,19H,10-11H2,1-4H3
SMILES (Click to copy)
C1C(OC)=C(CC2OC2(C)C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1OC

Other Databases

METABOLOMICS ID
FL2FA9NI0018
PubChem CID
42607877

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 343.39
Topological Polar Surface Area 59.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 5
logP 4.70
Molar Refractivity 101.98

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Updated at
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