Structure Database (LMSD)

Common Name
Platycarpanetin
Systematic Name
Synonyms
LM ID
LMPK12050435
Formula
C18H14O7
Exact Mass
Calculate m/z
342.073955
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Isoflavonoids [PK1205]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
TUUUCKKLTDTANU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C18H14O7/c1-21-14-6-11(19)17(22-2)18-15(14)16(20)10(7-23-18)9-3-4-12-13(5-9)25-8-24-12/h3-7,19H,8H2,1-2H3
SMILES (Click to copy)
C1(O)=C(OC)C2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FLIAFCNS0002
PubChem CID
44257369

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 278.23
Topological Polar Surface Area 91.50
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 3.81
Molar Refractivity 88.92

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Updated at
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