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CHEBI:181008 - SW219106-1

ChEBI IDCHEBI:181008
ChEBI NameSW219106-1
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SubmitterMetaboLights
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FormulaC30H47NO4S
Net Charge0
Average Mass517.776
Monoisotopic Mass517.32258
SMILES[H][C@]12CC[C@]([H])(CC(SCC(=O)O[C@@H]3C[C@](C)(C=C)[C@@H](O)[C@H](C)[C@]45CCC(=O)[C@@]4([H])[C@@]3(C)[C@@H](C)CC5)C1)N2C
InChIInChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19-,20-,21+,22?,24+,26-,27-,28-,29-,30-/m0/s1
InChIKeySTZYTFJPGGDRJD-RGDWKCTOSA-N
ChEBI Ontology
Outgoing Relation(s)
SW219106-1 (CHEBI:181008) is a carbotricyclic compound (CHEBI:38032)
SW219106-1 (CHEBI:181008) is a carboxylic ester (CHEBI:33308)
SW219106-1 (CHEBI:181008) is a cyclic ketone (CHEBI:3992)
IUPAC Name 
[(1S,2R,3S,4R,6R,7R,8R,14S)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulanyl]acetate