Structure Database (LMSD)

Common Name
Artelastofuran
Systematic Name
Synonyms
LM ID
LMPK12110889
Formula
C30H34O7
Exact Mass
Calculate m/z
506.230455
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)
KTPLWHVBZCLIKT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H34O7/c1-15(2)7-10-19-25(33)24-26(34)20(11-8-16(3)4)28-21(14-23(36-28)30(5,6)35)29(24)37-27(19)18-12-9-17(31)13-22(18)32/h7-9,12-13,23,31-32,34-35H,10-11,14H2,1-6H3
SMILES (Click to copy)
C12C(=O)C(C/C=C(\C)/C)=C(C3C=CC(O)=CC=3O)OC=1C1CC(C(C)(C)O)OC=1C(C/C=C(\C)/C)=C2O

Other Databases

CHEBI ID
186089
METABOLOMICS ID
FL3FALNF0001
PubChem CID
15386211

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 480.55
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 7.14
Molar Refractivity 144.73

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Updated at
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