Structure Database (LMSD)

Common Name
Noratocarpetin 7,2',4'-trimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12110943
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
DJZBMZIZTDXUPW-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-21-10-4-5-12(15(7-10)23-3)16-9-14(20)18-13(19)6-11(22-2)8-17(18)24-16/h4-9,19H,1-3H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(OC)=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FALNS0004
PubChem CID
44258303

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 281.80
Topological Polar Surface Area 78.13
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 6
logP 4.09
Molar Refractivity 89.35

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Updated at
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