Structure Database (LMSD)

Common Name
Persiconin
Systematic Name
Synonyms
LM ID
LMPK12140586
Formula
C23H26O11
Exact Mass
Calculate m/z
478.147515
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)
NKYUUWHIEOUGKB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H26O11/c1-30-11-6-16-19(13(26)8-15(32-16)10-3-4-14(31-2)12(25)5-10)17(7-11)33-23-22(29)21(28)20(27)18(9-24)34-23/h3-7,15,18,20-25,27-29H,8-9H2,1-2H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(O)C(OC)=CC=3)CC(=O)C=2C(OC2OC(CO)C(O)C(O)C2O)=C1

Other Databases

HMDB ID
HMDB0037482
CHEBI ID
168273
METABOLOMICS ID
FL2FCEGS0001
PubChem CID
42608082

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 2
Rotatable Bonds 6
Van der Waals Molecular Volume 413.43
Topological Polar Surface Area 168.51
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.01
Molar Refractivity 117.41

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Updated at
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