Structure Database (LMSD)

Common Name
Fulvinervin B
Systematic Name
Synonyms
LM ID
LMPK12110179
Formula
C25H22O4
Exact Mass
Calculate m/z
386.15181
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)
JJVHZBYZKZAVDJ-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C25H22O4/c1-15(2)10-11-17-22(27)21-19(26)14-20(16-8-6-5-7-9-16)28-24(21)18-12-13-25(3,4)29-23(17)18/h5-14,27H,1H2,2-4H3/b11-10+
SMILES (Click to copy)
C12OC(C)(C)C=CC=1C1OC(C3C=CC=CC=3)=CC(=O)C=1C(O)=C2/C=C/C(C)=C

Other Databases

METABOLOMICS ID
FL3FA9NP0002
PubChem CID
44257641

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 365.04
Topological Polar Surface Area 61.74
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 7.13
Molar Refractivity 117.79

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Updated at
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