Structure Database (LMSD)

Common Name
Platanin 3,7-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12113086
Formula
C18H16O6
Exact Mass
Calculate m/z
328.09469
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

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)
DGYAUJCXOBKRAF-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H16O6/c1-9-12(19)11-13(20)18(23-3)16(10-7-5-4-6-8-10)24-17(11)14(21)15(9)22-2/h4-8,19,21H,1-3H3
SMILES (Click to copy)
C1(OC)=C(O)C2OC(C3C=CC=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FF9NM0005
PubChem CID
44259910

Calculated Physicochemical Properties

Heavy Atoms 24
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 281.80
Topological Polar Surface Area 89.13
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 6
logP 4.10
Molar Refractivity 89.20

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Updated at
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