Structure Database (LMSD)

O O O O
Common Name
Xambioona
Systematic Name
Synonyms
LM ID
LMPK12140053
Formula
C25H24O4
Exact Mass
Calculate m/z
388.16746
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
FGJUXFVUOCKRCY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C25H24O4/c1-24(2)11-9-16-13-15(5-7-20(16)28-24)22-14-19(26)17-6-8-21-18(23(17)27-22)10-12-25(3,4)29-21/h5-13,22H,14H2,1-4H3
SMILES (Click to copy)
C1C2OC(C)(C)C=CC=2C2OC(C3C=C4C=CC(C)(C)OC4=CC=3)CC(=O)C=2C=1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL2F1ANP0004
PubChem CID
14769500

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 5
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 368.86
Topological Polar Surface Area 50.97
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 4
logP 6.33
Molar Refractivity 113.71

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Updated at
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