Structure Database (LMSD)

Common Name
Viscosol
Systematic Name
Synonyms
LM ID
LMPK12112855
Formula
C23H24O7
Exact Mass
Calculate m/z
412.152205
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)
NVPPDJQPJXYMLK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O7/c1-12(2)6-7-13-10-14(8-9-16(13)27-3)21-23(29-5)20(26)18-17(30-21)11-15(24)22(28-4)19(18)25/h6,8-11,24-25H,7H2,1-5H3
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(OC)=C(C/C=C(\C)/C)C=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
184984
METABOLOMICS ID
FL5FEANI0004
PubChem CID
26195174

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 374.45
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.31
Molar Refractivity 114.15

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Updated at
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