Structure Database (LMSD)

Common Name
Artobiloxanthone
Systematic Name
Synonyms
LM ID
LMPK12110939
Formula
C25H22O7
Exact Mass
Calculate m/z
434.136555
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)
ZIYAGIMFLYOZDS-LBPRGKRZSA-N
InChi (Click to copy)
InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26-28,30H,1,7H2,2-4H3/t12-/m0/s1
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC3C4C(O)=CC(O)=C(O)C=4[C@@H](CC=3C(=O)C=1C(O)=C2)C(C)=C

Other Databases

METABOLOMICS ID
FL3FALNR0009
PubChem CID
21672553

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 5
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 381.69
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 5.87
Molar Refractivity 120.20

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Updated at
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