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CHEBI:145161 - Azaspiracid-7

ChEBI IDCHEBI:145161
ChEBI NameAzaspiracid-7
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H71NO13
Net Charge0
Average Mass858.079
Monoisotopic Mass857.49254
SMILES[H][C@@]1(/C=C/C(O)CC(=O)O)C=CC[C@]2(CC[C@]3(O2)O[C@]2([H])C[C@@]([H])([C@@H](O)[C@]4(O)O[C@]([H])(C(=C)C[C@@]56C[C@@H](C)C[C@@H](O5)[C@@]5([H])O[C@]7(C[C@@]5([H])O6)NC[C@H](C)C[C@@H]7C)[C@@H](C)C[C@H]4C)O[C@]2([H])C[C@H]3C)O1
InChIInChI=1S/C47H71NO13/c1-25-16-36-41-38(23-45(59-41)29(5)15-26(2)24-48-45)57-44(21-25,56-36)22-28(4)40-27(3)17-31(7)47(53,60-40)42(52)37-20-35-34(54-37)18-30(6)46(58-35)14-13-43(61-46)12-8-9-33(55-43)11-10-32(49)19-39(50)51/h8-11,25-27,29-38,40-42,48-49,52-53H,4,12-24H2,1-3,5-7H3,(H,50,51)/b11-10+/t25-,26+,27-,29-,30+,31+,32?,33-,34+,35+,36?,37-,38+,40-,41+,42+,43-,44-,45-,46+,47+/m0/s1
InChIKeySXEBRIPODMGYJR-NTDZBKRRSA-N
Species of MetaboliteComponentSourceComments
Azadinium spinosum (WORMS:391509) - MetaboLights (MTBLS599)
ChEBI Ontology
Outgoing Relation(s)
Azaspiracid-7 (CHEBI:145161) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(E)-3-hydroxy-5-((2S,3aR,5R,5'R,6R,6''S,7aR)-2-((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)-6-methyl-2,3,3a,3',3'',4',6,6'',7,7a-decahydrodispiro[furo[3,2-b]pyran-5,2'-furan-5',2''-pyran]-6''-yl)pent-4-enoic acid
Synonym  Source
AZA-7SUBMITTER