Structure Database (LMSD)

Common Name
Flemiculosin
Systematic Name
Synonyms
LM ID
LMPK12120232
Formula
C25H24O4
Exact Mass
Calculate m/z
388.16746
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NWYOEMWUFSHXQG-ZHACJKMWSA-N
InChi (Click to copy)
InChI=1S/C25H24O4/c1-24(2)14-12-17-21(27)20(19(26)11-10-16-8-6-5-7-9-16)23-18(22(17)28-24)13-15-25(3,4)29-23/h5-15,27H,1-4H3/b11-10+
SMILES (Click to copy)
C1=CC=CC=C1/C=C/C(=O)C1C(O)=C2C=CC(C)(C)OC2=C2C=CC(C)(C)OC=12

Other Databases

METABOLOMICS ID
FL1CA9NP0005
PubChem CID
5385082

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 378.58
Topological Polar Surface Area 59.90
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.23
Molar Refractivity 116.42

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Updated at
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