Structure Database (LMSD)

Common Name
Dichotosinin
Systematic Name
Synonyms
LM ID
LMPK12020273
Formula
C24H30O10
Exact Mass
Calculate m/z
478.1839
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
UQVHQQQKJXHPAP-JYYYJSNHSA-N
InChi (Click to copy)
InChI=1S/C24H30O10/c1-29-13-9-17-14(5-7-15(32-17)12-4-6-16(30-2)19(8-12)31-3)18(10-13)33-24-23(28)22(27)21(26)20(11-25)34-24/h4,6,8-10,15,20-28H,5,7,11H2,1-3H3/t15?,20-,21-,22+,23-,24-/m1/s1
SMILES (Click to copy)
C1(OC)C=C2OC(C3C=C(OC)C(OC)=CC=3)CCC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1

Other Databases

METABOLOMICS ID
FL6FCFGS0001
PubChem CID
44257199

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 424.58
Topological Polar Surface Area 140.44
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 10
logP 2.67
Molar Refractivity 121.68

Admin

Created at
-
Updated at
11th Sep 2021