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CHEBI:223040 - Tolypocladin B

ChEBI IDCHEBI:223040
ChEBI NameTolypocladin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44ClNO6
Net Charge0
Average Mass574.158
Monoisotopic Mass573.28572
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6cccc(C[C@H](O)C(C)(C)Cl)c56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C32H44ClNO6/c1-27(2,33)20(35)14-16-8-7-9-19-22(16)18-15-17-10-13-31(38)29(5,30(17,6)24(18)34-19)12-11-21-32(31)26(40-32)23(36)25(39-21)28(3,4)37/h7-9,17,20-21,23,25-26,34-38H,10-15H2,1-6H3/t17-,20-,21-,23+,25-,26+,29+,30+,31-,32-/m0/s1
InChIKeyWOCMMNOTRDWUKV-JCSWOICYSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin B (CHEBI:223040) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin B (CHEBI:223040) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-19-[(2S)-3-chloro-2-hydroxy-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
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128442962ChemSpider