Structure Database (LMSD)

Common Name
Breverin
Systematic Name
Synonyms
LM ID
LMPK12140693
Formula
C18H16O7
Exact Mass
Calculate m/z
344.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Comments
Metabolomics.jp link:FL2FQUNM0001

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
JBSVSRAOSBYWPO-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O7/c1-8-14(23-2)6-12(21)17-13(22)7-15(25-18(8)17)9-4-11(20)16(24-3)5-10(9)19/h4-6,15,21H,7H2,1-3H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3=CC(=O)C(OC)=CC3=O)CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL2FQUNM0001
PubChem CID
42608129

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 3
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 312.39
Topological Polar Surface Area 101.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 1.94
Molar Refractivity 86.46

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Updated at
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