Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7-arabinoside-4'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111192
Formula
C26H28O15
Exact Mass
Calculate m/z
580.142825
Status
Curated
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)
FVBVAZPEAOXENT-ONEKPSCPSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c1-8-18(30)22(34)24(36)26(38-8)40-13-3-2-9(4-10(13)27)14-5-11(28)17-15(39-14)6-16(20(32)21(17)33)41-25-23(35)19(31)12(29)7-37-25/h2-6,8,12,18-19,22-27,29-36H,7H2,1H3/t8-,12-,18-,19-,22+,23+,24+,25-,26-/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=CC=3)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FECGS0019
PubChem CID
101423603

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 474.59
Topological Polar Surface Area 253.34
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.36
Molar Refractivity 139.49

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Created at
-
Updated at
7th Jan 2022