Structure Database (LMSD)

Common Name
Artonin M
Systematic Name
Synonyms
LM ID
LMPK12111515
Formula
C30H30O7
Exact Mass
Calculate m/z
502.199155
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)
AKJMHCXQYHWXIY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C30H30O7/c1-14(2)7-6-9-30(5)17-11-16-26(34)24-21(13-20-15(25(24)33)8-10-29(3,4)36-20)35-27(16)23-18(31)12-19(32)28(37-30)22(17)23/h7-8,10,12-13,17,31-33H,6,9,11H2,1-5H3
SMILES (Click to copy)
C12C(=O)C3CC4C(CC/C=C(\C)/C)(C)OC5=C(O)C=C(O)C(C=3OC=1C=C1OC(C)(C)C=CC1=C2O)=C45

Other Databases

METABOLOMICS ID
FL3FRNND0002
PubChem CID
44258661

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 6
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 455.83
Topological Polar Surface Area 113.50
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 7.77
Molar Refractivity 141.93

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Updated at
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