Structure Database (LMSD)

Common Name
Broussoflavonol C
Systematic Name
Synonyms
LM ID
LMPK12112287
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
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)
HHTKCKAMIUFCSO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-8-30(6,7)24-21(32)14-20(31)23-26(35)27(36)28(37-29(23)24)19-13-22(33)25(34)18(12-10-16(4)5)17(19)11-9-15(2)3/h8-10,13-14,31-34,36H,1,11-12H2,2-7H3
SMILES (Click to copy)
C1(O)=C(C(C)(C)C=C)C2OC(C3C(C/C=C(\C)/C)=C(C/C=C(/C)\C)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FACNI0003
PubChem CID
5481967

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 490.27
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 7.37
Molar Refractivity 145.84

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Updated at
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