Structure Database (LMSD)

Systematic Name
4'',5''-Dihydro-3,5,3',4'-tetrahydroxy-4'',6'',6''-trimethylpyrano[2,3:7,8]flavone
Synonyms
LM ID
LMPK12112293
Formula
C21H20O7
Exact Mass
Calculate m/z
384.120905
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
BTFODKJEEKUOHG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C21H20O7/c1-9-8-21(2,3)28-14-7-13(24)16-17(25)18(26)19(27-20(16)15(9)14)10-4-5-11(22)12(23)6-10/h4-7,9,22-24,26H,8H2,1-3H3
SMILES (Click to copy)
C12OC(C)(C)CC(C)C=1C1OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=1C(O)=C2

Other Databases

METABOLOMICS ID
FL5FACNP0001
PubChem CID
44259326

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 330.13
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.13
Molar Refractivity 102.94

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Updated at
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