Structure Database (LMSD)

Common Name
6-C-Glucopyranosyl-8-C-arabinopyranosylgenkwanin
Systematic Name
Synonyms
LM ID
LMPK12110980
Formula
C27H30O14
Exact Mass
Calculate m/z
578.16356
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)
IHRVJPZYTSPICL-QHTAQJPCSA-N
InChi (Click to copy)
InChI=1S/C27H30O14/c1-38-24-16(27-23(37)21(35)19(33)14(7-28)41-27)20(34)15-11(30)6-13(9-2-4-10(29)5-3-9)40-25(15)17(24)26-22(36)18(32)12(31)8-39-26/h2-6,12,14,18-19,21-23,26-29,31-37H,7-8H2,1H3/t12-,14+,18-,19+,21-,22+,23+,26-,27-/m0/s1
SMILES (Click to copy)
C1(OC)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

Other Databases

METABOLOMICS ID
FL3FCACS0011
PubChem CID
44258324

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 483.10
Topological Polar Surface Area 244.11
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 14
logP 2.02
Molar Refractivity 141.91

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Created at
-
Updated at
6th Jan 2022