Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 4'-methyl ether 7-rhamnosyl-(1->2)-(6''-acetylglucoside)
Systematic Name
Synonyms
LM ID
LMPK12111223
Formula
C30H34O17
Exact Mass
Calculate m/z
666.179606
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)
NSOHGASIQJMBNH-RLYKLETASA-N
InChi (Click to copy)
InChI=1S/C30H34O17/c1-10-21(34)25(38)27(40)29(43-10)47-28-26(39)23(36)19(9-42-11(2)31)46-30(28)45-18-8-17-20(24(37)22(18)35)14(33)7-16(44-17)12-4-5-15(41-3)13(32)6-12/h4-8,10,19,21,23,25-30,32,34-40H,9H2,1-3H3/t10-,19+,21-,23+,25+,26-,27+,28+,29-,30+/m0/s1
SMILES (Click to copy)
C1C=C(OC)C(O)=CC=1C1=CC(=O)C2C(O)=C(O)C(O[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](COC(=O)C)O3)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FECGS0050
PubChem CID
21576579

Calculated Physicochemical Properties

Heavy Atoms 47
Rings 5
Aromatic Rings 3
Rotatable Bonds 9
Van der Waals Molecular Volume 558.73
Topological Polar Surface Area 268.64
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 17
logP 3.24
Molar Refractivity 160.35

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Created at
-
Updated at
22nd Dec 2021