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CHEBI:145170 - 13-desmethylspirolide C

ChEBI IDCHEBI:145170
ChEBI Name13-desmethylspirolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H61NO7
Net Charge0
Average Mass691.950
Monoisotopic Mass691.44480
SMILESC=C1CCCC2=NC[C@H](C)[C@@H](C)C[C@@]23CCC(C2C=C(C)C(=O)O2)=C(C)C3/C=C(\C)[C@@H](O)C[C@@H]2CC[C@@]3(CC[C@@]4(O[C@@H](CC[C@@]4(C)O)C1)O3)O2
InChIInChI=1S/C42H61NO7/c1-25-9-8-10-37-40(23-28(4)29(5)24-43-37)15-13-33(36-21-27(3)38(45)47-36)30(6)34(40)20-26(2)35(44)22-32-12-16-41(48-32)17-18-42(50-41)39(7,46)14-11-31(19-25)49-42/h20-21,28-29,31-32,34-36,44,46H,1,8-19,22-24H2,2-7H3/b26-20+/t28-,29-,31-,32-,34?,35-,36?,39+,40+,41+,42+/m0/s1
InChIKeyTWYUDVVIPSUDIG-MTEFJGGFSA-N
Species of MetaboliteComponentSourceComments
Alexandrium ostenfeldii (WORMS:109712) - MetaboLights (MTBLS599)
ChEBI Ontology
Outgoing Relation(s)
13-desmethylspirolide C (CHEBI:145170) is a azaspiro compound (CHEBI:35624)