Structure Database (LMSD)

Common Name
Derriflavanone
Systematic Name
Synonyms
LM ID
LMPK12140325
Formula
C26H28O7
Exact Mass
Calculate m/z
452.183505
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

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

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
YNPMOVGGQKFPCZ-JXKJCSFESA-N
InChi (Click to copy)
InChI=1S/C26H28O7/c1-25(2)11-10-15-20(29)18-16(28)12-17(13-6-8-14(27)9-7-13)31-22(18)19(21(15)32-25)23-24(30-5)26(3,4)33-23/h6-11,17,23-24,27,29H,12H2,1-5H3/t17?,23-,24?/m0/s1
SMILES (Click to copy)
C12C(O)=C3C=CC(C)(C)OC3=C([C@@]3([H])C(OC)C(C)(C)O3)C=1OC(C1C=CC(O)=CC=1)CC2=O

Other Databases

METABOLOMICS ID
FL2FAANP0020
PubChem CID
10434009

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 5
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 415.17
Topological Polar Surface Area 100.66
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 5.71
Molar Refractivity 122.51

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Updated at
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