Structure Database (LMSD)

Common Name
Broussoflavonol B
Systematic Name
Synonyms
LM ID
LMPK12112720
Formula
C26H28O7
Exact Mass
Calculate m/z
452.183505
Status
Curated
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)
WKVKAWWZXXTJEH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O7/c1-13(2)6-9-16-21(29)17(10-7-14(3)4)25-20(22(16)30)23(31)26(32-5)24(33-25)15-8-11-18(27)19(28)12-15/h6-8,11-12,27-30H,9-10H2,1-5H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C/C=C(\C)/C

Other Databases

CHEBI ID
185710
METABOLOMICS ID
FL5FDCNI0003
PubChem CID
480828

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 423.71
Topological Polar Surface Area 120.36
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.21
Molar Refractivity 127.51

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Updated at
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