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CHEBI:223051 - Tolypocladin D

ChEBI IDCHEBI:223051
ChEBI NameTolypocladin D
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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(nc6cc(C[C@H](O)C(C)(C)Cl)ccc56)[C@@]43C)[C@]23O[C@@H]3[C@@H]1O
InChIInChI=1S/C32H44ClNO6/c1-27(2,33)21(35)14-16-7-8-18-19-15-17-9-12-31(38)29(5,30(17,6)24(19)34-20(18)13-16)11-10-22-32(31)26(40-32)23(36)25(39-22)28(3,4)37/h7-8,13,17,21-23,25-26,34-38H,9-12,14-15H2,1-6H3/t17-,21-,22-,23+,25-,26+,29+,30+,31-,32-/m0/s1
InChIKeyFNRSMNUHSXXDPE-YHCGHPBGSA-N
Species of MetaboliteComponentSourceComments
Tolypocladium (ncbitaxon:29909) - PubMed (30702286)
ChEBI Ontology
Outgoing Relation(s)
Tolypocladin D (CHEBI:223051) is a organic heterotricyclic compound (CHEBI:26979)
Tolypocladin D (CHEBI:223051) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1S,2R,5S,7S,8R,9R,11S,12S,15S)-21-[(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(23),19,21-tetraene-8,12-diol