Structure Database (LMSD)

Common Name
Leucodelphinidin 3-O-alpha-L-rhamnopyranoside
Systematic Name
Synonyms
LM ID
LMPK12020206
Formula
C21H24O12
Exact Mass
Calculate m/z
468.12678
Status
Active
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)
FSGNSYZESMMQHF-WWNVCBLISA-N
InChi (Click to copy)
InChI=1S/C21H24O12/c1-6-14(26)17(29)18(30)21(31-6)33-20-16(28)13-9(23)4-8(22)5-12(13)32-19(20)7-2-10(24)15(27)11(25)3-7/h2-6,14,16-30H,1H3/t6-,14-,16?,17+,18+,19?,20?,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL6DAGGS0002
PubChem CID
156713

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 390.26
Topological Polar Surface Area 213.90
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 12
logP 1.31
Molar Refractivity 109.84

Admin

Created at
-
Updated at
18th Oct 2021