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CHEBI:80043 - Nodularin

Default Structure
ChEBI IDCHEBI:80043
ChEBI NameNodularin
Stars
Last Modified8 October 2014
DownloadsMolfile
FormulaC41H60N8O10
Net Charge0
Average Mass824.977
Monoisotopic Mass824.44324
SMILES[H][C@@]1(/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)[C@H](C(=O)O)NC(=O)/C(=C/C)N(C)C(=O)CC[C@H](C(=O)O)NC(=O)[C@H]1C
InChIInChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1
InChIKeyIXBQSRWSVIBXNC-HSKGSTCASA-N
ChEBI Ontology
Outgoing Relation(s)
Nodularin (CHEBI:80043) is a ether (CHEBI:25698)
Manual XrefsDatabases
C15713KEGG COMPOUND
Registry NumbersSources
CAS:118399-22-7KEGG COMPOUND