Structure Database (LMSD)

Common Name
6,8-Di-C-arabinopyranosyltricetin
Systematic Name
Synonyms
LM ID
LMPK12110837
Formula
C25H26O15
Exact Mass
Calculate m/z
566.127175
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)
FCZNGJMODFZUHI-WEOXUJSHSA-N
InChi (Click to copy)
InChI=1S/C25H26O15/c26-7-3-12(6-1-8(27)16(31)9(28)2-6)40-23-13(7)19(34)14(24-21(36)17(32)10(29)4-38-24)20(35)15(23)25-22(37)18(33)11(30)5-39-25/h1-3,10-11,17-18,21-22,24-25,27-37H,4-5H2/t10-,11-,17-,18-,21+,22+,24-,25-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=C(O)C(O)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1

Other Databases

METABOLOMICS ID
FL3FAGCS0006
PubChem CID
44258244

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 457.29
Topological Polar Surface Area 275.34
Hydrogen Bond Donors 11
Hydrogen Bond Acceptors 15
logP 1.48
Molar Refractivity 133.83

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Created at
-
Updated at
7th Jan 2022