Structure Database (LMSD)

Common Name
Oresbiusin
Systematic Name
6,7,8-Trihydroxy-5-methoxyflavanone
Synonyms
LM ID
LMPK12140682
Formula
C16H14O6
Exact Mass
Calculate m/z
302.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
PKAFYSRHNWFISU-JTQLQIEISA-N
InChi (Click to copy)
InChI=1S/C16H14O6/c1-21-15-11-9(17)7-10(8-5-3-2-4-6-8)22-16(11)14(20)12(18)13(15)19/h2-6,10,18-20H,7H2,1H3/t10-/m0/s1
SMILES (Click to copy)
C1(O)C(O)=C2O[C@H](C3C=CC=CC=3)CC(=O)C2=C(OC)C=1O

Other Databases

METABOLOMICS ID
FL2FG9NS0006
PubChem CID
42608124

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 260.74
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 2.52
Molar Refractivity 76.75

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Updated at
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