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CHEBI:203552 - Chaetoglobosin W

ChEBI IDCHEBI:203552
ChEBI NameChaetoglobosin W
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H38N2O6
Net Charge0
Average Mass546.664
Monoisotopic Mass546.27299
SMILESCC1=C[C@@H](C)CC=C[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(Cc5cnc6ccccc56)NC(=O)[C@]2(C(=O)CC[C@H](O)C1=O)[C@H]4[C@@H]3C
InChIInChI=1S/C32H38N2O6/c1-17-8-7-10-22-28(38)30(4)19(3)27-31(40-30,15-20-16-33-23-11-6-5-9-21(20)23)34-29(39)32(22,27)25(36)13-12-24(35)26(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27-28,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/t17-,19-,22-,24-,27-,28-,30-,31+,32+/m0/s1
InChIKeyCVOHSTWUORXTFP-ZDILSFSISA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (20486076)
ChEBI Ontology
Outgoing Relation(s)
Chaetoglobosin W (CHEBI:203552) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,2S,3R,7S,11S,15S,18R,19R,20S)-2,11-dihydroxy-18-(1H-indol-3-ylmethyl)-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,14,16-trione