Structure Database (LMSD)

Common Name
8-Prenyllepidissipyrone
Systematic Name
Synonyms
LM ID
LMPK12140213
Formula
C29H30O7
Exact Mass
Calculate m/z
490.199155
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)
GMFRUUZSYCHLQH-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C29H30O7/c1-5-22-16(4)25(31)20(29(34)36-22)13-19-26(32)18(12-11-15(2)3)28-24(27(19)33)21(30)14-23(35-28)17-9-7-6-8-10-17/h6-11,23,31-33H,5,12-14H2,1-4H3
SMILES (Click to copy)
C1(CC2C(=O)OC(CC)=C(C)C=2O)C(O)=C(C/C=C(\C)/C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
140139
METABOLOMICS ID
FL2FA9NR0004
PubChem CID
54747187

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 460.61
Topological Polar Surface Area 119.27
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 6.33
Molar Refractivity 135.34

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Updated at
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