Structure Database (LMSD)

Systematic Name
5,7-Dihydroxy-4'-methoxy-8-C-(2-hydroxy-3-methyl-3-butenyl)flavanone
Synonyms
LM ID
LMPK12140346
Formula
C21H22O6
Exact Mass
Calculate m/z
370.14164
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)
UDGMFQSBPUDAJA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H22O6/c1-11(2)15(22)8-14-16(23)9-17(24)20-18(25)10-19(27-21(14)20)12-4-6-13(26-3)7-5-12/h4-7,9,19,22-24H,8,10H2,1-3H3
SMILES (Click to copy)
C1C(O)=C(C/C(/O)=C(\C)/C)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FABNI0005
PubChem CID
42607957

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 344.60
Topological Polar Surface Area 98.29
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
logP 4.21
Molar Refractivity 99.79

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Updated at
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