Structure Database (LMSD)

Common Name
(S)-4'-Hydroxy-4-methoxydalbergione
Systematic Name
Synonyms
LM ID
LMPK12100073
Formula
C16H14O4
Exact Mass
Calculate m/z
270.08921
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Neoflavonoids [PK1210]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
DLCVFIMWFKVRTM-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C16H14O4/c1-3-12(10-4-6-11(17)7-5-10)13-8-15(19)16(20-2)9-14(13)18/h3-9,12,17H,1H2,2H3/t12-/m0/s1
SMILES (Click to copy)
C1(OC)C(=O)C=C([C@]([H])(C2C=CC(O)=CC=2)C=C)C(=O)C=1

Other Databases

CHEBI ID
186818
METABOLOMICS ID
FLND2ANS0001
PubChem CID
44257558

Calculated Physicochemical Properties

Heavy Atoms 20
Rings 2
Aromatic Rings 1
Rotatable Bonds 4
Van der Waals Molecular Volume 263.78
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 2.27
Molar Refractivity 74.23

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Updated at
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