Structure database (LMSD)

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LM IDLMPK12070038
Common NameAmbonane
Systematic Name-
Synonyms-
Exact Mass
324.0998 (neutral)    Calculate m/z:
FormulaC19H16O5
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassPterocarpans [PK1207]
PubChem CID44257445
METABOLOMICS IDFLID1CNF0002
InChIKeyHHWQSUBEFRHIGU-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H16O5/c1-20-14-4-3-11-13-9-23-16-8-15-10(5-6-22-15)7-12(16)17(13)24-18(11)19(14)21-2/h3-8,13,17H,9H2,1-2H3
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SMILES
C12OC=CC1=CC1C3OC4=C(OC)C(OC)=CC=C4C3COC=1C=2
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StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms24Rings5Aromatic Rings2Rotatable Bonds2
 van der Waals
Molecular Volume
279.13Topological Polar
Surface Area
52.36Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
5
 logP3.96Molar
Refractivity
87.75