Structure Database (LMSD)

O O HO HO O O O O
Common Name
Amorphigenol
Systematic Name
Synonyms
LM ID
LMPK12060015
Formula
C23H24O8
Exact Mass
Calculate m/z
428.14712
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)
HCVCUIIDODCONY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C23H24O8/c1-23(26,10-24)19-7-13-14(30-19)5-4-11-21(25)20-12-6-16(27-2)17(28-3)8-15(12)29-9-18(20)31-22(11)13/h4-6,8,18-20,24,26H,7,9-10H2,1-3H3
SMILES (Click to copy)
C12OC(C(CO)(O)C)CC=1C1OC3COC4=C(C=C(OC)C(OC)=C4)C3C(=O)C=1C=C2

References

Taxonomy Information

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

Other Databases

CHEBI ID
187689
METABOLOMICS ID
FLIF1LNF0009
PubChem CID
100157

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 5
Aromatic Rings 2
Rotatable Bonds 4
Van der Waals Molecular Volume 374.70
Topological Polar Surface Area 109.89
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.30
Molar Refractivity 111.32

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Updated at
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