Structure Database (LMSD)

Common Name
Broussonol B
Systematic Name
Synonyms
LM ID
LMPK12112282
Formula
C25H24O7
Exact Mass
Calculate m/z
436.152205
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)
WYEJSRSJEMZHNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-11-25(4,5)18-16(30-11)10-14(26)17-19(28)20(29)22(31-23(17)18)13-8-12-6-7-24(2,3)32-21(12)15(27)9-13/h6-11,26-27,29H,1-5H3
SMILES (Click to copy)
C12=C(O)C=C3OC(C)C(C)(C)C3=C1OC(C1C=C3C=CC(C)(C)OC3=C(O)C=1)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FACND0001
PubChem CID
10320815

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 395.23
Topological Polar Surface Area 111.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 5.42
Molar Refractivity 118.60

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Updated at
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