Structure Database (LMSD)

Common Name
6-Hydroxytricetin 5-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111260
Formula
C21H20O12
Exact Mass
Calculate m/z
464.09548
Status
Active
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)
BVXAICGLDCMTRI-WEQWLYMASA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c1-6-15(26)18(29)19(30)21(31-6)33-20-14-8(22)4-12(32-13(14)5-11(25)17(20)28)7-2-9(23)16(27)10(24)3-7/h2-6,15,18-19,21,23-30H,1H3/t6-,15-,18+,19+,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=C1O

Other Databases

METABOLOMICS ID
FL3FEGGS0001
PubChem CID
44258527

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 374.08
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.53
Molar Refractivity 111.90

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Created at
-
Updated at
21st Dec 2021