Structure Database (LMSD)

Systematic Name
5-Hydroxy-7-O-nerylflavanone
Synonyms
LM ID
LMPK12140185
Formula
C25H28O4
Exact Mass
Calculate m/z
392.19876
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)
QLOMWRUHQCNTGI-PDGQHHTCSA-N
InChi (Click to copy)
InChI=1S/C25H28O4/c1-17(2)8-7-9-18(3)12-13-28-20-14-21(26)25-22(27)16-23(29-24(25)15-20)19-10-5-4-6-11-19/h4-6,8,10-12,14-15,23,26H,7,9,13,16H2,1-3H3/b18-12-
SMILES (Click to copy)
C1(OC/C=C(\CC/C=C(\C)/C)/C)C=C2OC(C3C=CC=CC=3)CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL2FA9NI0022
PubChem CID
42607879

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 3
Aromatic Rings 2
Rotatable Bonds 7
Van der Waals Molecular Volume 393.58
Topological Polar Surface Area 57.83
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 6.45
Molar Refractivity 115.27

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Updated at
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