Structure Database (LMSD)

Common Name
Ovaliflavanone D
Systematic Name
Synonyms
LM ID
LMPK12140070
Formula
C26H28O5
Exact Mass
Calculate m/z
420.193675
Status
Curated
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)
VRZNNJMFRSHNKF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C26H28O5/c1-15(2)5-7-18-11-20-21(27)13-23(17-8-10-22-24(12-17)30-14-29-22)31-26(20)19(25(18)28)9-6-16(3)4/h5-6,8,10-12,23,28H,7,9,13-14H2,1-4H3
SMILES (Click to copy)
C1(O)=C(C/C=C(\C)/C)C2OC(C3C=C4OCOC4=CC=3)CC(=O)C=2C=C1C/C=C(\C)/C

Other Databases

METABOLOMICS ID
FL2F1CNI0002
PubChem CID
42607825

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 5
Van der Waals Molecular Volume 407.31
Topological Polar Surface Area 71.20
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 5
logP 5.84
Molar Refractivity 119.26

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Updated at
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