Structure Database (LMSD)

HO O O OH HO HO HO OH OH HO OH O HO
Common Name
Telephioidin
Systematic Name
6-C-β-D-glucopyranosyl-5,7,2',3',5',6'-hexahydroxyflavone
Synonyms
LM ID
LMPK12110116
Formula
C21H20O13
Exact Mass
Calculate m/z
480.090395
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
OAIHXYJZSSASMS-QBNVJHRZSA-N
InChi (Click to copy)
InChI=1S/C21H20O13/c22-4-11-17(29)19(31)20(32)21(34-11)13-6(24)3-9-12(18(13)30)5(23)2-10(33-9)14-15(27)7(25)1-8(26)16(14)28/h1-3,11,17,19-22,24-32H,4H2/t11-,17-,19+,20-,21+/m1/s1
SMILES (Click to copy)
C1(O)C(O)=CC(O)=C(O)C=1C1=CC(=O)C2C(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(O)=CC=2O1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3FA8CS0001
PubChem CID
44257606

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 382.87
Topological Polar Surface Area 243.81
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 13
logP 1.54
Molar Refractivity 113.27

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Created at
-
Updated at
19th Oct 2021