Structure Database (LMSD)

Systematic Name
5-Hydroxy-7,8-dimethoxyflavanone 5-rhamnoside
Synonyms
LM ID
LMPK12140653
Formula
C23H26O9
Exact Mass
Calculate m/z
446.157685
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VPGZAAVNFQFLSM-RZLFFYSMSA-N
InChi (Click to copy)
InChI=1S/C23H26O9/c1-11-18(25)19(26)20(27)23(30-11)32-15-10-16(28-2)21(29-3)22-17(15)13(24)9-14(31-22)12-7-5-4-6-8-12/h4-8,10-11,14,18-20,23,25-27H,9H2,1-3H3/t11-,14?,18-,19+,20+,23-/m0/s1
SMILES (Click to copy)
C1(OC)C=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2C(=O)CC(C3C=CC=CC=3)OC=2C=1OC

Other Databases

METABOLOMICS ID
FL2FF9GS0004
PubChem CID
42608111

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 395.85
Topological Polar Surface Area 128.05
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 9
logP 3.05
Molar Refractivity 113.85

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Created at
-
Updated at
26th Oct 2021