Structure Database (LMSD)

O OH O OH O O
Systematic Name
5,2'-Dihydroxy-7,5'-dimethoxyflavanone
Synonyms
LM ID
LMPK12140128
Formula
C17H16O6
Exact Mass
Calculate m/z
316.09469
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
XMFCMXPYIULHFX-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H16O6/c1-21-9-3-4-12(18)11(5-9)15-8-14(20)17-13(19)6-10(22-2)7-16(17)23-15/h3-7,15,18-19H,8H2,1-2H3
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=C(OC)C=CC=3O)CC(=O)C2=C(O)C=1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FA8NS0008
PubChem CID
42607851

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 278.04
Topological Polar Surface Area 87.29
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 2.82
Molar Refractivity 81.63

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Updated at
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