Structure Database (LMSD)

Common Name
Cycloartocarpesin
Systematic Name
Synonyms
LM ID
LMPK12110915
Formula
C20H16O6
Exact Mass
Calculate m/z
352.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
LXEJWVDCRDILQQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-20(2)6-5-12-16(26-20)9-17-18(19(12)24)14(23)8-15(25-17)11-4-3-10(21)7-13(11)22/h3-9,21-22,24H,1-2H3
SMILES (Click to copy)
C12OC(C)(C)C=CC1=C(O)C1C(=O)C=C(C3C(O)=CC(O)=CC=3)OC=1C=2

Other Databases

HMDB ID
HMDB0037425
CHEBI ID
175502
METABOLOMICS ID
FL3FALNP0004
PubChem CID
15224382

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 301.40
Topological Polar Surface Area 102.20
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.95
Molar Refractivity 97.28

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Updated at
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