Structure database (LMSD)

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LM IDLMPK12160007
Common NameEuchretin B
Systematic Name-
Synonyms-
Exact Mass
436.1522 (neutral)    Calculate m/z:
FormulaC25H24O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassOther Flavonoids [PK1216]
PubChem CID15138441
METABOLOMICS IDFLIG1LNI0005
InChIKeyJXRCOUGAFJVKOJ-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H24O7/c1-11(2)5-7-13-16(26)10-17(27)20-22(30)19-15-9-18(28)21(29)14(
8-6-12(3)4)23(15)31-25(19)32-24(13)20/h5-6,9-10,26-29H,7-8H2,1-4H3
SMILESC1(O)=C(C/C=C(/C)\C)C2OC3OC4C(=CC(O)=C(O)C=4C/C=C(/C)\C)C=3C(=O)C=2C(O)=C1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms32Rings4Aromatic Rings4Rotatable Bonds4
 van der Waals
Molecular Volume
383.15Topological Polar
Surface Area
124.27Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
7
 logP6.43Molar
Refractivity
122.80