Structure Database (LMSD)

O O O O O O O
Common Name
Cerosilin B
Systematic Name
Synonyms
LM ID
LMPK12110110
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
UIYFWULCBWYNDB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-14-7-6-13-18(20(14)26-5)12(21)10-15(27-13)11-8-16(23-2)19(25-4)17(9-11)24-3/h6-10H,1-5H3
SMILES (Click to copy)
C1=CC2OC(C3C=C(OC)C(OC)=C(OC)C=3)=CC(=O)C=2C(OC)=C1OC

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3F9GNS0001
PubChem CID
44257603

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 76.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 100.79

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Updated at
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