Structure Database (LMSD)

Common Name
Cyclocommunol
Systematic Name
Synonyms
LM ID
LMPK12110937
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)
VHNPAPHWKVLGHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O6/c1-9(2)5-15-18-19(24)17-13(23)6-11(22)8-16(17)26-20(18)12-4-3-10(21)7-14(12)25-15/h3-8,15,21-23H,1-2H3
SMILES (Click to copy)
C1(O)=CC2OC3C4C=CC(O)=CC=4OC(/C=C(\C)/C)C=3C(=O)C=2C(O)=C1

Other Databases

HMDB ID
HMDB0040304
CHEBI ID
175506
METABOLOMICS ID
FL3FALNR0007
PubChem CID
10315987

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 4.88
Molar Refractivity 95.82

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Updated at
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