Structure Database (LMSD)

Common Name
Rhamnellaflavoside C
Systematic Name
Synonyms
  • 6-C-beta-D-Epioliosylapigenin 4'-O-beta-D-glucopyranoside
LM ID
LMPK12110324
Formula
C27H30O13
Exact Mass
Calculate m/z
562.168645
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)
SJJKJSJCDCJFNW-HLDRAWRKSA-N
InChi (Click to copy)
InChI=1S/C27H30O13/c1-10-22(32)15(31)8-17(37-10)20-14(30)7-18-21(24(20)34)13(29)6-16(39-18)11-2-4-12(5-3-11)38-27-26(36)25(35)23(33)19(9-28)40-27/h2-7,10,15,17,19,22-23,25-28,30-36H,8-9H2,1H3/t10-,15-,17-,19-,22-,23-,25+,26-,27-/m1/s1
SMILES (Click to copy)
C1(C2C=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2)=CC(=O)C2C(O)=C([C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)C(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FAADS0041
PubChem CID
44257780

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 474.31
Topological Polar Surface Area 223.88
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 13
logP 3.10
Molar Refractivity 140.26

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Created at
-
Updated at
21st Dec 2021