Structure Database (LMSD)

Common Name
12a-Methoxydolineone
Systematic Name
Synonyms
LM ID
LMPK12060034
Formula
C20H14O7
Exact Mass
Calculate m/z
366.073955
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Rotenoid flavonoids [PK1206]

References

Taxonomy Information

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

String Representations

InChiKey (Click to copy)
NUYYOLGSNQWSLU-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H14O7/c1-22-20-12-5-16-17(26-9-25-16)7-15(12)24-8-18(20)27-14-6-13-10(2-3-23-13)4-11(14)19(20)21/h2-7,18H,8-9H2,1H3
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C3(OC)C4=C(OCC3OC=1C=2)C=C1OCOC1=C4

Other Databases

METABOLOMICS ID
FLIFHXNF0002
PubChem CID
44257407

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 6
Aromatic Rings 2
Rotatable Bonds 1
Van der Waals Molecular Volume 299.01
Topological Polar Surface Area 82.80
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
logP 3.23
Molar Refractivity 92.60

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Updated at
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