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CHEBI:145162 - Azaspiracid-8

ChEBI IDCHEBI:145162
ChEBI NameAzaspiracid-8
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H71NO13
Net Charge0
Average Mass858.079
Monoisotopic Mass857.49254
SMILES[H][C@@]1(/C=C/CCC(=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@@H](O)[C@H]4C)O[C@]2([H])C[C@H]3C)O1
InChIInChI=1S/C47H71NO13/c1-25-18-35-41-37(23-45(59-41)28(4)17-26(2)24-48-45)57-44(21-25,56-35)22-27(3)40-30(6)39(51)31(7)47(53,60-40)42(52)36-20-34-33(54-36)19-29(5)46(58-34)16-15-43(61-46)14-10-12-32(55-43)11-8-9-13-38(49)50/h8,10-12,25-26,28-37,39-42,48,51-53H,3,9,13-24H2,1-2,4-7H3,(H,49,50)/b11-8+/t25-,26+,28-,29+,30-,31+,32+,33+,34+,35?,36-,37+,39+,40+,41+,42+,43-,44-,45-,46+,47+/m0/s1
InChIKeyVTXJIDBQMAXDIY-ATSLACGLSA-N
Species of MetaboliteComponentSourceComments
Azadinium spinosum (WORMS:391509) - MetaboLights (MTBLS599)
ChEBI Ontology
Outgoing Relation(s)
Azaspiracid-8 (CHEBI:145162) is a azaspiro compound (CHEBI:35624)
IUPAC Name 
(E)-5-((2S,3aR,5R,5'R,6R,6''R,7aR)-2-((R)-((2R,3R,4R,5S,6S)-2,4-dihydroxy-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)(hydroxy)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-8SUBMITTER