Structure Database (LMSD)

Common Name
Matteucinol
Systematic Name
Synonyms
LM ID
LMPK12140351
Formula
C18H18O5
Exact Mass
Calculate m/z
314.115425
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
DZTRDRPCROOSOG-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H18O5/c1-9-16(20)10(2)18-15(17(9)21)13(19)8-14(23-18)11-4-6-12(22-3)7-5-11/h4-7,14,20-21H,8H2,1-3H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC(OC)=CC=3)CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL2FABNM0001
PubChem CID
602155

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 3
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 286.55
Topological Polar Surface Area 78.06
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 5
logP 3.43
Molar Refractivity 84.56

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Updated at
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