Structure Database (LMSD)

O O O OH O O O
Common Name
12a-Hydroxyerosone
Systematic Name
Synonyms
LM ID
LMPK12060035
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
SXKFYDWIBCRCRI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-23-16-6-12-15(8-17(16)24-2)26-9-18-20(12,22)19(21)11-5-10-3-4-25-13(10)7-14(11)27-18/h3-8,18,22H,9H2,1-2H3
SMILES (Click to copy)
C12OC=CC1=CC1C(=O)C3(O)C4=C(OCC3OC=1C=2)C=C(OC)C(OC)=C4

References

Taxonomy Information

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

Other Databases

HMDB ID
HMDB0034141
CHEBI ID
175713
METABOLOMICS ID
FLIFHXNF0003
PubChem CID
44257408

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 5
Aromatic Rings 2
Rotatable Bonds 2
Van der Waals Molecular Volume 311.37
Topological Polar Surface Area 89.66
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
logP 2.86
Molar Refractivity 94.79

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Created at
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Updated at
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