Structure Database (LMSD)

Systematic Name
5-Hydroxy-6,7,3',4',5'-pentamethoxyflavanone 5-O-rhamnoside
Synonyms
LM ID
LMPK12140634
Formula
C26H32O12
Exact Mass
Calculate m/z
536.18938
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)
BHSHENYSLDZJHG-JIAWEZIHSA-N
InChi (Click to copy)
InChI=1S/C26H32O12/c1-11-20(28)21(29)22(30)26(36-11)38-25-19-13(27)9-14(37-15(19)10-18(33-4)24(25)35-6)12-7-16(31-2)23(34-5)17(8-12)32-3/h7-8,10-11,14,20-22,26,28-30H,9H2,1-6H3/t11-,14-,20-,21-,22+,26-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2O[C@H](C3C=C(OC)C(OC)=C(OC)C=3)CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](C)O2)=C1OC

Other Databases

METABOLOMICS ID
FL2FEGGS0001
PubChem CID
42608104

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 2
Rotatable Bonds 8
Van der Waals Molecular Volume 474.12
Topological Polar Surface Area 155.74
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 12
logP 3.07
Molar Refractivity 133.50

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Created at
-
Updated at
13th Apr 2022