Structure Database (LMSD)

OH HO HO OH O O
Common Name
Brosimacutin F
Systematic Name
Synonyms
LM ID
LMPK12110031
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
ANTDQLWDPMSOHB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-20(2,25)18(24)9-14-15(22)8-7-13-16(23)10-17(26-19(13)14)11-3-5-12(21)6-4-11/h3-8,10,18,21-22,24-25H,9H2,1-2H3
SMILES (Click to copy)
C1C=C(O)C(CC(C(C)(O)C)O)=C2OC(C3C=CC(O)=CC=3)=CC(=O)C=12

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

CHEBI ID
187391
METABOLOMICS ID
FL3F1ANI0003
PubChem CID
10871979

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 316.40
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 4.02
Molar Refractivity 98.39

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Updated at
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