Structure Database (LMSD)

Common Name
Dorsilurin E
Systematic Name
Synonyms
LM ID
LMPK12111509
Formula
C30H34O6
Exact Mass
Calculate m/z
490.235541
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
PETBZSPKGCYJHN-QJOMJCCJSA-N
InChi (Click to copy)
InChI=1S/C30H34O6/c1-28(2)13-10-19-24(34-28)20-11-14-30(5,6)36-27(20)22-25(19)33-23(17-8-7-16(31)15-21(17)32)18-9-12-29(3,4)35-26(18)22/h7-8,15,31H,9-14H2,1-6H3/b23-17-
SMILES (Click to copy)
C12/C(=C3/C(=O)C=C(O)C=C/3)/OC3C4CCC(C)(C)OC=4C4CCC(C)(C)OC=4C=3C=1OC(C)(C)CC2

Other Databases

METABOLOMICS ID
FL3FQUNP0001
PubChem CID
15478906

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 6
Aromatic Rings 1
Rotatable Bonds 0
Van der Waals Molecular Volume 474.12
Topological Polar Surface Area 82.50
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 7.28
Molar Refractivity 137.86

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Updated at
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