Structure Database (LMSD)

Common Name
Artonol D
Systematic Name
Synonyms
LM ID
LMPK12111510
Formula
C30H26O7
Exact Mass
Calculate m/z
498.167855
Status
Active
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)
BPBNMDXSLVPNFT-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H26O7/c1-13(2)16-11-17-24(33)21-18(31)12-19-14(7-9-29(3,4)36-19)26(21)35-27(17)22-20(16)25(34)28-15(23(22)32)8-10-30(5,6)37-28/h7-10,12,16,31H,1,11H2,2-6H3
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C(=O)C1C3OC4=C5C=CC(C)(C)OC5=CC(O)=C4C(=O)C=3CC(C(=C)C)C=1C2=O

Other Databases

HMDB ID
HMDB0030495
CHEBI ID
187795
METABOLOMICS ID
FL3FQUNP0002
PubChem CID
10672941

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 6
Aromatic Rings 1
Rotatable Bonds 1
Van der Waals Molecular Volume 472.35
Topological Polar Surface Area 105.34
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 5.64
Molar Refractivity 136.15

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Updated at
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