Structure Database (LMSD)

Common Name
Fujikinetin 7-O-glucoside
Systematic Name
Synonyms
LM ID
LMPK12050106
Formula
C23H22O11
Exact Mass
Calculate m/z
474.116215
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
CJHLOIVYCZZNBR-DODNOZFWSA-N
InChi (Click to copy)
InChI=1S/C23H22O11/c1-29-15-5-11-14(6-17(15)33-23-22(28)21(27)20(26)18(7-24)34-23)30-8-12(19(11)25)10-2-3-13-16(4-10)32-9-31-13/h2-6,8,18,20-24,26-28H,7,9H2,1H3/t18-,20-,21+,22-,23-/m1/s1
SMILES (Click to copy)
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=CC2C(=O)C(C3C=C4OCOC4=CC=3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIA2CGS0001
PubChem CID
101297678

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 387.53
Topological Polar Surface Area 163.49
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 2.99
Molar Refractivity 118.15

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Created at
-
Updated at
18th Oct 2021