Structure Database (LMSD)

O O O O
Common Name
Derriobtusone A
Systematic Name
Synonyms
LM ID
LMPK12130059
Formula
C18H12O4
Exact Mass
Calculate m/z
292.07356
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Aurone flavonoids [PK1213]

String Representations

InChiKey (Click to copy)
IOMYTSYGOQQBAH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H12O4/c1-20-17-13-7-8-14-12(9-10-21-14)16(13)22-18(17)15(19)11-5-3-2-4-6-11/h2-10H,1H3
SMILES (Click to copy)
C12C(OC)=C(C(=O)C3C=CC=CC=3)OC=1C1C=COC=1C=C2

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL1AUNNF0001
PubChem CID
42607786

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 238.32
Topological Polar Surface Area 52.58
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 4.42
Molar Refractivity 82.41

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Updated at
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