Structure Database (LMSD)

Common Name
Dorsilurin A
Systematic Name
Synonyms
LM ID
LMPK12110907
Formula
C30H34O6
Exact Mass
Calculate m/z
490.23554
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
VMALIMPRENWZRQ-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-16(2)7-10-19-23(31)14-13-20(27(19)33)25-15-24(32)26-29(35)21(11-8-17(3)4)28(34)22(30(26)36-25)12-9-18(5)6/h7-9,13-15,31,33-35H,10-12H2,1-6H3
SMILES (Click to copy)
C12C(=O)C=C(C3C=CC(O)=C(C/C=C(\C)/C)C=3O)OC=1C(C/C=C(\C)/C)=C(O)C(C/C=C(\C)/C)=C2O

Other Databases

METABOLOMICS ID
FL3FALNI0018
PubChem CID
15391029

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 3
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 481.48
Topological Polar Surface Area 111.13
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 7.71
Molar Refractivity 144.09

Admin

Created at
-
Updated at
-