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CHEBI:189916 - Azaspiracid 3

ChEBI IDCHEBI:189916
ChEBI NameAzaspiracid 3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H69NO12
Net Charge0
Average Mass828.053
Monoisotopic Mass827.48198
SMILES[H][C@@]12O[C@@]3(C[C@]1([H])O[C@]1(CC(=C)[C@H]4O[C@@](O)([C@@H](O)[C@@]5([H])C[C@]6([H])O[C@@]7(CC[C@]8(C=CC[C@@H](/C=C/CCC(=O)O)O8)O7)[C@@H](C)C[C@]6([H])O5)CC[C@@H]4C)C[C@H](C)C[C@]2([H])O1)NC[C@@H](C)C[C@H]3C
InChIInChI=1S/C46H69NO12/c1-26-19-35-40-37(24-44(57-40)30(5)18-27(2)25-47-44)55-43(22-26,54-35)23-29(4)39-28(3)13-15-45(51,58-39)41(50)36-21-34-33(52-36)20-31(6)46(56-34)17-16-42(59-46)14-9-11-32(53-42)10-7-8-12-38(48)49/h7,9-10,14,26-28,30-37,39-41,47,50-51H,4,8,11-13,15-25H2,1-3,5-6H3,(H,48,49)/b10-7+/t26-,27+,28+,30-,31+,32-,33+,34+,35+,36-,37+,39+,40+,41+,42+,43+,44-,45-,46-/m1/s1
InChIKeyCWFCYVRIWJMEIN-XGWIYJPWSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Azaspiracid 3 (CHEBI:189916) is a azaspiro compound (CHEBI:35624)