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CHEBI:220912 - Ionostatin

ChEBI IDCHEBI:220912
ChEBI NameIonostatin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H72O9
Net Charge0
Average Mass709.018
Monoisotopic Mass708.51763
SMILESC[C@H](C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@@](C)([C@@H]2CC[C@H]([C@@H](C)O)O2)O1)C[C@@H](C)C(O)=CC(=O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C(=O)O
InChIInChI=1S/C41H72O9/c1-24(19-28(5)34(43)23-35(44)29(6)20-25(2)18-26(3)21-30(7)40(47)48)12-11-13-27(4)39(46)31(8)36(45)22-33-16-17-41(10,50-33)38-15-14-37(49-38)32(9)42/h11,13,23-33,36-39,42-43,45-46H,12,14-22H2,1-10H3,(H,47,48)/b13-11+,34-23?/t24-,25-,26+,27-,28-,29+,30+,31+,32-,33+,36+,37-,38+,39-,41+/m1/s1
InChIKeyURYRLBBQUXHSHU-UFYBQNGHSA-N
ChEBI Ontology
Outgoing Relation(s)
Ionostatin (CHEBI:220912) is a diterpenoid (CHEBI:23849)