Structure database (LMSD)

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LM IDLMPK08000001
Common NameRabelomycin
Systematic Name-
Synonyms-
Exact Mass
338.0790 (neutral)    Calculate m/z:
FormulaC19H14O6
CategoryPolyketides [PK]
Main ClassAngucyclines [PK08]
Sub Class-
PubChem CID168797
InChIKeyJJOLHRYZQSDLSA-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H14O6/c1-19(25)6-8-5-11(21)15-16(13(8)12(22)7-19)17(23)9-3-2-4-10(20)14(9)18(15)24/h2-5,20-21,25H,6-7H2,1H3
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SMILES
C1=CC2C(=O)C3C4C(=O)CC(O)(C)CC=4C=C(O)C=3C(=O)C=2C(O)=C1
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StatusActive
ReferencesAntimicrobial Agents and Chemotherapy, April 2003, p. 1291-1296, Vol. 47, No. 4.
Calculated physicochemical properties (?):
 Heavy Atoms25Rings4Aromatic Rings2Rotatable Bonds0
 van der Waals
Molecular Volume
295.00Topological Polar
Surface Area
111.90Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP2.04Molar
Refractivity
86.87