SDN

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Summary

Name:[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
Synonyms:4,10-dihydro-9-hydroxy-1-methyl-10-oxo-3-H-naphtho-[2,3-c]-pyran-3-(S)-acetic acid
Formula:C16 H14 O5
Formal charge:0
Molecular weight:286.279 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04[(3S)-9-hydroxy-1-methyl-10-oxo-4,10-dihydro-3H-benzo[g]isochromen-3-yl]acetic acid
OpenEye OEToolkits1.5.02-[(3S)-9-hydroxy-1-methyl-10-oxo-3,4-dihydrobenzo[g]isochromen-3-yl]ethanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C2c1c(O)cccc1C=C3C2=C(OC(C3)CC(=O)O)C
SMILES_CANONICALCACTVS3.341CC1=C2C(=Cc3cccc(O)c3C2=O)C[C@@H](CC(O)=O)O1
SMILESCACTVS3.341CC1=C2C(=Cc3cccc(O)c3C2=O)C[CH](CC(O)=O)O1
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1=C2C(=Cc3cccc(c3C2=O)O)C[C@H](O1)CC(=O)O
SMILESOpenEye OEToolkits1.5.0CC1=C2C(=Cc3cccc(c3C2=O)O)CC(O1)CC(=O)O
InChIInChI1.03InChI=1S/C16H14O5/c1-8-14-10(6-11(21-8)7-13(18)19)5-9-3-2-4-12(17)15(9)16(14)20/h2-5,11,17H,6-7H2,1H3,(H,18,19)/t11-/m0/s1
InChIKeyInChI1.03HHXSOTFPYPQSBU-NSHDSACASA-N
170172
PDB entries from 2020-10-21