Structure Database (LMSD)

Common Name
Hypolaetin 8-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111390
Formula
C21H20O11
Exact Mass
Calculate m/z
448.100565
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

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

Biological Context

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YHYNTNFMKFMHCR-GXVHLMNZSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-7-16(27)17(28)18(29)21(30-7)32-19-13(26)5-11(24)15-12(25)6-14(31-20(15)19)8-2-3-9(22)10(23)4-8/h2-7,16-18,21-24,26-29H,1H3/t7-,16-,17+,18+,21-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C=2O1

Other Databases

METABOLOMICS ID
FL3FFCGS0022
PubChem CID
101690825

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 365.29
Topological Polar Surface Area 192.35
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 2.82
Molar Refractivity 110.23

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Created at
-
Updated at
5th Jan 2022