Structure Database (LMSD)

O O O O OH O
Common Name
Cerasidin
Systematic Name
Synonyms
LM ID
LMPK12120285
Formula
C19H20O6
Exact Mass
Calculate m/z
344.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
IAUDUEQNUVKNBT-SOFGYWHQSA-N
InChi (Click to copy)
InChI=1S/C19H20O6/c1-22-13-7-5-12(17(10-13)24-3)6-8-15(20)19-16(21)9-14(23-2)11-18(19)25-4/h5-11,21H,1-4H3/b8-6+
SMILES (Click to copy)
C1(OC)=CC(OC)=C(C(=O)/C=C/C2C=CC(OC)=CC=2OC)C(O)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1CALNS0002
PubChem CID
14034812

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 2
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 322.36
Topological Polar Surface Area 74.22
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 3.32
Molar Refractivity 94.12

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Updated at
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