Structure Database (LMSD)

Common Name
Cycloartomunoxanthone
Systematic Name
Synonyms
LM ID
LMPK12111517
Formula
C26H24O7
Exact Mass
Calculate m/z
448.152205
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)
HKEMUQOOVFTSNA-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H24O7/c1-25(2)7-6-11-16(32-25)9-15(28)20-21(29)12-8-13-18-19(23(12)31-22(11)20)14(27)10-17(30-5)24(18)33-26(13,3)4/h6-7,9-10,13,27-28H,8H2,1-5H3
SMILES (Click to copy)
C12C(=O)C3CC4C(C)(C)OC5=C(OC)C=C(O)C(C=3OC=1C1C=CC(C)(C)OC=1C=C2O)=C45

Other Databases

HMDB ID
HMDB0029999
CHEBI ID
172684
METABOLOMICS ID
FL3FRNND0004
PubChem CID
14841185

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 6
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 389.27
Topological Polar Surface Area 102.50
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 6.35
Molar Refractivity 123.83

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Updated at
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