Structure Database (LMSD)

Common Name
Broussonol C
Systematic Name
Synonyms
LM ID
LMPK12112284
Formula
C25H26O7
Exact Mass
Calculate m/z
438.167855
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)
SOQFBCLXNNQJDD-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H26O7/c1-11(2)6-7-13-8-14(9-16(27)20(13)28)23-22(30)21(29)18-15(26)10-17-19(24(18)32-23)25(4,5)12(3)31-17/h6,8-10,12,26-28,30H,7H2,1-5H3
SMILES (Click to copy)
C12=C(O)C=C3OC(C)C(C)(C)C3=C1OC(C1C=C(C/C=C(\C)/C)C(O)=C(O)C=1)=C(O)C2=O

Other Databases

METABOLOMICS ID
FL5FACNF0002
PubChem CID
11743840

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 407.59
Topological Polar Surface Area 120.59
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.16
Molar Refractivity 119.15

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Updated at
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