Structure Database (LMSD)

Common Name
Dihydrobiochanin A
Systematic Name
Synonyms
LM ID
LMPK12050475
Formula
C16H14O5
Exact Mass
Calculate m/z
286.084125
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)
XPZQBSCTDLGDBP-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-7,12,17-18H,8H2,1H3
SMILES (Click to copy)
C1(O)=CC2OCC(C3=CC=C(OC)C=C3)C(=O)C=2C(O)=C1

Other Databases

KEGG ID
C02675
HMDB ID
HMDB0129957
CHEBI ID
15712
METABOLOMICS ID
FLIBABNS0001
PubChem CID
439784

Calculated Physicochemical Properties

Heavy Atoms 21
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 251.95
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.75
Molar Refractivity 75.82

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Updated at
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