Structure Database (LMSD)

Common Name
3'-Hydroxy-8-O-methylretusin
Systematic Name
Synonyms
LM ID
LMPK12050140
Formula
C17H14O6
Exact Mass
Calculate m/z
314.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YYWSNCLFZSMGCM-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O6/c1-21-14-6-3-9(7-13(14)19)11-8-23-16-10(15(11)20)4-5-12(18)17(16)22-2/h3-8,18-19H,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC=C(C3C=CC(OC)=C(O)C=3)C(=O)C=2C=C1

Other Databases

HMDB ID
HMDB0037918
CHEBI ID
175021
METABOLOMICS ID
FLIA3CNS0002
PubChem CID
44257262

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 264.50
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 3.79
Molar Refractivity 84.46

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Updated at
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