Structure Database (LMSD)

Common Name
Artonol C
Systematic Name
Synonyms
LM ID
LMPK12111532
Formula
C30H28O7
Exact Mass
Calculate m/z
500.183505
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)
JVLAUHJNDLMVDW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H28O7/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/h7-10,12,16,31-32,34H,1,11H2,2-6H3
SMILES (Click to copy)
C12CC(C(=C)C)C3C(O)=C4OC(C)(C)C=CC4=C(O)C=3C=1OC1=C3C=CC(C)(C)OC3=CC(O)=C1C2=O

Other Databases

HMDB ID
HMDB0030489
CHEBI ID
140147
METABOLOMICS ID
FL3FRNNP0007
PubChem CID
10839101

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 464.09
Topological Polar Surface Area 111.66
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.79
Molar Refractivity 140.43

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Updated at
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