Structure Database (LMSD)

Common Name
(-)-Phaseollidin
Systematic Name
Synonyms
LM ID
LMPK12070011
Formula
C20H20O4
Exact Mass
Calculate m/z
324.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Pterocarpans [PK1207]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
OFWYIUYVHYPQNX-JXFKEZNVSA-N
InChi (Click to copy)
InChI=1S/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3/t16-,20-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC[C@@]3([H])C4C=CC(O)=C(C/C=C(\C)/C)C=4O[C@@]3([H])C=2C=C1

Other Databases

KEGG ID
C05230
CHEBI ID
17556
METABOLOMICS ID
FLID1ANI0001
PubChem CID
119268

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 300.00
Topological Polar Surface Area 63.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 4.50
Molar Refractivity 91.44

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Updated at
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