Structure Database (LMSD)

Common Name
Phellodensin D
Systematic Name
5,4'-Dihydroxy-2''-(1-hydroxy-1-methylethyl)dihydrofuro[2,3-h]flavanone
Synonyms
LM ID
LMPK12140268
Formula
C20H20O6
Exact Mass
Calculate m/z
356.12599
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
ZBVQSGGQLPHKKZ-MYJWUSKBSA-N
InChi (Click to copy)
InChI=1S/C20H20O6/c1-20(2,24)17-7-12-16(25-17)9-14(23)18-13(22)8-15(26-19(12)18)10-3-5-11(21)6-4-10/h3-6,9,15,17,21,23-24H,7-8H2,1-2H3/t15-,17?/m0/s1
SMILES (Click to copy)
C12OC(C(O)(C)C)CC1=C1O[C@H](C3C=CC(O)=CC=3)CC(=O)C1=C(O)C=2

Other Databases

CHEBI ID
197109
METABOLOMICS ID
FL2FAANF0006
PubChem CID
5316782

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 4
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 317.58
Topological Polar Surface Area 100.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 3.45
Molar Refractivity 93.97

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Updated at
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