Structure Database (LMSD)

Common Name
Tangeretin
Systematic Name
Synonyms
LM ID
LMPK12111443
Formula
C20H20O7
Exact Mass
Calculate m/z
372.120905
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra
View ion mobility data

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)
ULSUXBXHSYSGDT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
SMILES (Click to copy)
C1(OC)=C(OC)C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(OC)=C1OC

Other Databases

KEGG ID
C10190
HMDB ID
HMDB0030539
CHEBI ID
9400
METABOLOMICS ID
FL3FGANS0002
PubChem CID
68077

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 325.19
Topological Polar Surface Area 76.36
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 4.40
Molar Refractivity 100.79

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Updated at
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