Structure Database (LMSD)

Common Name
Dorsilurin D
Systematic Name
Synonyms
LM ID
LMPK12110906
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
PSGBQWWFQHLENG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-10-20-26(34)22(14-23(32)17(5)6)30-25(27(20)35)28(36)21(11-8-16(3)4)29(37-30)19-12-9-18(31)13-24(19)33/h7-9,12-13,23,31-35H,5,10-11,14H2,1-4,6H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=CC(O)=CC=3O)OC=1C(CC(O)C(=C)C)=C(O)C(C/C=C(\C)/C)=C2O

References

Taxonomy Information

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

Other Databases

CHEBI ID
192423
METABOLOMICS ID
FL3FALNI0017
PubChem CID
15478905

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 3
Aromatic Rings 3
Rotatable Bonds 8
Van der Waals Molecular Volume 490.27
Topological Polar Surface Area 131.36
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 7
logP 6.97
Molar Refractivity 145.99

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Updated at
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