Structure Database (LMSD)

Common Name
Fulvinervin C
Systematic Name
Synonyms
LM ID
LMPK12110180
Formula
C25H24O5
Exact Mass
Calculate m/z
404.162375
Status
Active
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)
BXQGCKPPJCXQCL-ZRDIBKRKSA-N
InChi (Click to copy)
InChI=1S/C25H24O5/c1-24(2,28)12-10-16-21(27)20-18(26)14-19(15-8-6-5-7-9-15)29-23(20)17-11-13-25(3,4)30-22(16)17/h5-14,27-28H,1-4H3/b12-10+
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)=CC(=O)C=1C(O)=C2/C=C/C(O)(C)C

Other Databases

METABOLOMICS ID
FL3FA9NP0003
PubChem CID
44257642

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 376.47
Topological Polar Surface Area 81.97
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 6.61
Molar Refractivity 119.79

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Updated at
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