Structure Database (LMSD)

Common Name
Flemiwallichin C
Systematic Name
Synonyms
LM ID
LMPK12120200
Formula
C26H30O6
Exact Mass
Calculate m/z
438.20424
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)
RTZDSYGSULAQPX-GMBHSJTJSA-N
InChi (Click to copy)
InChI=1S/C26H30O6/c1-16(2)6-5-7-17(3)8-11-20-23(30)15-24(32-4)25(26(20)31)22(29)12-9-18-14-19(27)10-13-21(18)28/h6,8-10,12-15,27-28,30-31H,5,7,11H2,1-4H3/b12-9+,17-8+
SMILES (Click to copy)
C1=C(O)C=CC(O)=C1/C=C/C(=O)C1C(O)=C(C/C=C(\C)/CC/C=C(/C)\C)C(O)=CC=1OC

Other Databases

METABOLOMICS ID
FL1CA8NI0001
PubChem CID
42607587

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 2
Aromatic Rings 2
Rotatable Bonds 9
Van der Waals Molecular Volume 438.18
Topological Polar Surface Area 107.22
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 6
logP 5.65
Molar Refractivity 125.59

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Updated at
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