Structure Database (LMSD)

Common Name
Broussoflavonol E
Systematic Name
Synonyms
LM ID
LMPK12112295
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)
MROPLXAKUPCFHK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-8-29(4,5)23-20(32)14-19(31)22-24(34)25(35)27(36-28(22)23)18-13-21(33)26-17(11-12-30(6,7)37-26)16(18)10-9-15(2)3/h8-9,13-14,31-33,35H,1,10-12H2,2-7H3
SMILES (Click to copy)
C1(O)=C(C(C=C)(C)C)C2OC(C3C=C(O)C4OC(C)(C)CCC=4C=3C/C=C(\C)/C)=C(O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
140110
METABOLOMICS ID
FL5FACNP0003
PubChem CID
14542431

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 480.55
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 7.54
Molar Refractivity 144.59

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Updated at
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