Structure Database (LMSD)

Common Name
Broussonol A
Systematic Name
Synonyms
LM ID
LMPK12112297
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)
PSJXCDCTKCAYCB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O7/c1-6-24(2,3)18-15(27)11-14(26)17-19(29)20(30)22(31-23(17)18)13-9-12-7-8-25(4,5)32-21(12)16(28)10-13/h6-11,26-28,30H,1H2,2-5H3
SMILES (Click to copy)
C12=C(O)C=C(O)C(C(C=C)(C)C)=C1OC(C1C=C3C=CC(C)(C)OC3=C(O)C=1)=C(O)C2=O

Other Databases

CHEBI ID
186846
METABOLOMICS ID
FL5FACNP0005
PubChem CID
10342975

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 394.05
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 6.12
Molar Refractivity 122.16

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Updated at
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