Structure Database (LMSD)

O H H O O O O O
Common Name
7-O-Methylsterigmatocystin
Systematic Name
Synonyms
LM ID
LMPK10000003
Formula
C19H14O6
Exact Mass
Calculate m/z
338.07904
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Aflatoxins and related substances [PK10]

String Representations

InChiKey (Click to copy)
JKUJKKGMOZDDJV-ZRNGKTOUSA-N
InChi (Click to copy)
InChI=1S/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3/t9-,19+/m0/s1
SMILES (Click to copy)
C12[C@]3([H])C=CO[C@]3([H])OC=1C=C(OC)C1C(=O)C3=C(C=CC=C3OC)OC2=1

References

Other Databases

KEGG ID
C03686
CHEBI ID
18171
PubChem CID
104940
Cayman ID
22070

Calculated Physicochemical Properties

Heavy Atoms 25
Rings 5
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 274.38
Topological Polar Surface Area 71.27
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 6
logP 4.50
Molar Refractivity 91.10

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Created at
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Updated at
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