EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223045 - Tolypocladin C

ChEBI IDCHEBI:223045
ChEBI NameTolypocladin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47NO7
Net Charge0
Average Mass569.739
Monoisotopic Mass569.33525
SMILESCOC(C)(C)[C@@H](O)Cc1cccc2nc3c(c12)C[C@@H]1CC[C@@]2(O)[C@@]45O[C@@H]4[C@H](O)[C@@H](C(C)(C)O)O[C@H]5CC[C@]2(C)[C@@]31C
InChIInChI=1S/C33H47NO7/c1-28(2,37)26-24(36)27-33(41-27)22(40-26)12-13-30(5)31(6)18(11-14-32(30,33)38)16-19-23-17(15-21(35)29(3,4)39-7)9-8-10-20(23)34-25(19)31/h8-10,18,21-22,24,26-27,34-38H,11-16H2,1-7H3/t18-,21-,22-,24+,26-,27+,30+,31+,32-,33-/m0/s1
InChIKeyNFHIFZCVAFWCRC-OPZSIFNNSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin C (CHEBI:223045) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin C (CHEBI:223045) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-19-[(2S)-2-hydroxy-3-methoxy-3-methylbutyl]-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18,20,22-tetraene-8,12-diol