Structure Database (LMSD)

Common Name
Viscumneoside VI
Systematic Name
Synonyms
LM ID
LMPK12140436
Formula
C24H26O12
Exact Mass
Calculate m/z
506.14243
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/
Viscum coloratum (#159976)
Magnoliopsida (#3398)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
GPCKIXOOCSOBEC-CSYUMHBTSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-10(25)33-9-19-21(29)22(30)23(31)24(36-19)34-12-6-14(27)20-15(28)8-16(35-18(20)7-12)11-3-4-13(26)17(5-11)32-2/h3-7,16,19,21-24,26-27,29-31H,8-9H2,1-2H3/t16?,19-,21-,22+,23-,24-/m1/s1
SMILES (Click to copy)
C1C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)=CC2OC(C3C=C(OC)C(O)=CC=3)CC(=O)C=2C=1O

Other Databases

METABOLOMICS ID
FL2FADGS0003
PubChem CID
5315254

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 436.88
Topological Polar Surface Area 185.58
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
logP 2.28
Molar Refractivity 122.07

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Created at
-
Updated at
24th Jan 2022