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CHEBI:145166 - Azaspiracid-33

ChEBI IDCHEBI:145166
ChEBI NameAzaspiracid-33
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H65NO9
Net Charge0
Average Mass715.969
Monoisotopic Mass715.46593
SMILES[H][C@@]1(C/C=C/CC/C=C/CCC(=O)O)CC[C@@]([H])([C@@H](O)[C@]2(O)O[C@]([H])(C(=C)C[C@@]34C[C@@H](C)C[C@@H](O3)[C@@]3([H])O[C@]5(C[C@@]3([H])O4)NC[C@H](C)C[C@@H]5C)[C@@H](C)C[C@H]2C)O1
InChIInChI=1S/C41H65NO9/c1-25-19-33-37-34(23-40(50-37)29(5)18-26(2)24-42-40)49-39(21-25,48-33)22-28(4)36-27(3)20-30(6)41(46,51-36)38(45)32-17-16-31(47-32)14-12-10-8-7-9-11-13-15-35(43)44/h9-12,25-27,29-34,36-38,42,45-46H,4,7-8,13-24H2,1-3,5-6H3,(H,43,44)/b11-9+,12-10+/t25-,26+,27-,29-,30+,31+,32-,33?,34+,36-,37+,38+,39-,40-,41+/m0/s1
InChIKeyUVQNAVZXOLGVBU-IVFQQZPMSA-N
ChEBI Ontology
Outgoing Relation(s)
Azaspiracid-33 (CHEBI:145166) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(4E,8E)-10-((2S,5S)-5-((R)-hydroxy((2R,3R,5S,6S)-2-hydroxy-3,5-dimethyl-6-(3-((2S,3S,3a'R,5R,5'S,7'S,9'R,9a'R)-3,5,7'-trimethylhexahydrospiro[piperidine-2,2'-[5,9]epoxyfuro[3,2-b]oxocin]-5'(3'H)-yl)prop-1-en-2-yl)tetrahydro-2H-pyran-2-yl)methyl)tetrahydrofuran-2-yl)deca-4,8-dienoic acid
Synonym  Source
AZA-33SUBMITTER