Structure Database (LMSD)

Common Name
2''-O-alpha-L-Rhamnosyl-6-C-fucosyl-3'-methoxyluteoiin
Systematic Name
Synonyms
LM ID
LMPK12110758
Formula
C28H32O14
Exact Mass
Calculate m/z
592.179211
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
KLULJHGQHYLYGV-FCBWYYRWSA-N
InChi (Click to copy)
InChI=1S/C28H32O14/c1-9-21(33)24(36)27(42-28-25(37)23(35)20(32)10(2)40-28)26(39-9)19-14(31)8-17-18(22(19)34)13(30)7-15(41-17)11-4-5-12(29)16(6-11)38-3/h4-10,20-21,23-29,31-37H,1-3H3/t9-,10-,20-,21+,23+,24+,25+,26+,27-,28-/m0/s1
SMILES (Click to copy)
C1(C2C=CC(O)=C(OC)C=2)=CC(=O)C2C(O)=C([C@@H]3[C@@H](O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)[C@H](O)[C@H](O)[C@H](C)O3)C(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FADCS0021
PubChem CID
10603540

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 500.40
Topological Polar Surface Area 233.11
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 14
logP 3.46
Molar Refractivity 146.71

Admin

Created at
-
Updated at
9th Jan 2022