Structure Database (LMSD)

Common Name
Leridol
Systematic Name
Synonyms
LM ID
LMPK12140199
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
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)
NYMCJKZZZIZEPS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-10-17(22-2)12(9-19)16(21)15-13(20)8-14(23-18(10)15)11-6-4-3-5-7-11/h3-7,14,19,21H,8-9H2,1-2H3
SMILES (Click to copy)
C1(CO)C(OC)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1O

Other Databases

CHEBI ID
185602
METABOLOMICS ID
FL2FA9NM0013
PubChem CID
10495449

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 2.91
Molar Refractivity 84.08

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Updated at
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