Structure Database (LMSD)

Common Name
Desmosdumotin C
Systematic Name
Synonyms
LM ID
LMPK12120421
Formula
C19H20O4
Exact Mass
Calculate m/z
312.13616
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Chalcones and dihydrochalcones [PK1212]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
TYOLMDXXIKMMEZ-RICRECKTSA-N
InChi (Click to copy)
InChI=1S/C19H20O4/c1-12-16(21)15(17(22)19(2,3)18(12)23-4)14(20)11-10-13-8-6-5-7-9-13/h5-11,20H,1-4H3/b11-10+,15-14+
SMILES (Click to copy)
C1(C)(C)C(=O)/C(=C(/O)\C=C\C2C=CC=CC=2)/C(=O)C(C)=C1OC

Other Databases

METABOLOMICS ID
FL1CQUNS0003
PubChem CID
6478368

Calculated Physicochemical Properties

Heavy Atoms 23
Rings 2
Aromatic Rings 1
Rotatable Bonds 3
Van der Waals Molecular Volume 315.68
Topological Polar Surface Area 63.60
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 4
logP 3.61
Molar Refractivity 88.63

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Updated at
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