Structure Database (LMSD)

Common Name
Isoplatycarpanetin 7-O-glucoside
Systematic Name
Synonyms
  • Dipteryxine 7-O-glucoside
LM ID
LMPK12050396
Formula
C24H24O12
Exact Mass
Calculate m/z
504.12678
Status
Active
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)
FMNRJNMSGJNZNH-OREFEKLXSA-N
InChi (Click to copy)
InChI=1S/C24H24O12/c1-30-22-15(35-24-21(29)20(28)19(27)16(7-25)36-24)6-14-17(23(22)31-2)18(26)11(8-32-14)10-3-4-12-13(5-10)34-9-33-12/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/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)=C(OC)C2C(=O)C(C3C=C4OCOC4=CC=3)=COC=2C=1

Other Databases

METABOLOMICS ID
FLIAECGS0004
PubChem CID
44257355

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 413.62
Topological Polar Surface Area 172.72
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 3.00
Molar Refractivity 124.70

Admin

Created at
-
Updated at
18th Oct 2021