Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 6-glucoside-3'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111188
Formula
C27H30O16
Exact Mass
Calculate m/z
610.15339
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)
RDRQLBSNNWIOIO-VHGSFDOFSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-8-18(32)21(35)23(37)26(39-8)41-14-4-9(2-3-10(14)29)13-5-11(30)17-15(40-13)6-12(31)25(20(17)34)43-27-24(38)22(36)19(33)16(7-28)42-27/h2-6,8,16,18-19,21-24,26-29,31-38H,7H2,1H3/t8-,16+,18-,19+,21+,22-,23+,24+,26-,27-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C(O)=CC=3)=CC(=O)C=2C(O)=C1O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL3FECGS0015
PubChem CID
102148674

Calculated Physicochemical Properties

Heavy Atoms 43
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 500.68
Topological Polar Surface Area 273.57
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 16
logP 2.01
Molar Refractivity 146.01

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Created at
-
Updated at
4th Jan 2022