Structure Database (LMSD)

Common Name
Stemonone
Systematic Name
Synonyms
LM ID
LMPK12060076
Formula
C19H14O8
Exact Mass
Calculate m/z
370.06887
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)
WLTWCXGDUGNOON-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H14O8/c1-23-8-4-10(20)16-14(5-8)26-18-15(17(16)21)9-6-12(24-2)13(25-3)7-11(9)27-19(18)22/h4-7,20H,1-3H3
SMILES (Click to copy)
C1(OC)C=C(O)C2C(=O)C3C4=C(OC(=O)C=3OC=2C=1)C=C(OC)C(OC)=C4

Other Databases

CHEBI ID
186355
METABOLOMICS ID
FLIFWYNS0001
PubChem CID
44257424

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 290.78
Topological Polar Surface Area 108.34
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 8
logP 4.58
Molar Refractivity 97.57

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Updated at
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