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CHEBI:182845 - Humilin B

ChEBI IDCHEBI:182845
ChEBI NameHumilin B
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FormulaC31H40O10
Net Charge0
Average Mass572.651
Monoisotopic Mass572.26215
SMILES[H][C@]12O[C@]13C1CC(=O)O[C@@H](c4ccoc4)[C@]1(C)CCC3[C@@]1(C)C(=O)[C@]2(O)[C@@H](OC(=O)C(C)C)C(C)(C)[C@@H]1CC(=O)OC
InChIInChI=1S/C31H40O10/c1-15(2)23(34)40-25-27(3,4)18(12-20(32)37-7)29(6)17-8-10-28(5)19(31(17)26(41-31)30(25,36)24(29)35)13-21(33)39-22(28)16-9-11-38-14-16/h9,11,14-15,17-19,22,25-26,36H,8,10,12-13H2,1-7H3/t17?,18-,19?,22-,25-,26+,28+,29+,30-,31+/m0/s1
InChIKeyLOOFGUAWTZPQEG-BWSSPMROSA-N
ChEBI Ontology
Outgoing Relation(s)
Humilin B (CHEBI:182845) is a limonoid (CHEBI:39434)
IUPAC Name 
[(1S,2R,4S,9R,10R,14S,15S,17S)-9-(uran-3-yl)-1-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16,16-tetramethyl-7,18-dioxo-3,8-dioxapentacyclo[12.3.1.02,4.04,13.05,10]octadecan-17-yl] 2-methylpropanoate
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