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CHEBI:220342 - Isochaetoglobosin Db

ChEBI IDCHEBI:220342
ChEBI NameIsochaetoglobosin Db
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H35N3O3
Net Charge0
Average Mass509.650
Monoisotopic Mass509.26784
SMILESC=C1[C@@H](C)[C@H]2[C@H](Cc3cnc4ccccc34)NC(=O)C23c2cncc2C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C32H35N3O3/c1-17-8-7-10-24-30(37)20(4)19(3)28-27(13-21-14-34-26-11-6-5-9-22(21)26)35-31(38)32(24,28)25-16-33-15-23(25)29(36)18(2)12-17/h5-7,9-12,14-17,19,24,27-28,30,33-34,37H,4,8,13H2,1-3H3,(H,35,38)/b10-7+,18-12+/t17-,19+,24-,27-,28-,30+,32?/m0/s1
InChIKeyNOBIZBQJWCRXQZ-BKYIMLKESA-N
Species of MetaboliteComponentSourceComments
Chaetomium (ncbitaxon:5149) - PubMed (28403641)
ChEBI Ontology
Outgoing Relation(s)
Isochaetoglobosin Db (CHEBI:220342) is a indoles (CHEBI:24828)
IUPAC Name 
(8E,10S,12E,14R,15S,17S,18R,19S)-15-hydroxy-19-(1H-indol-3-ylmethyl)-8,10,17-trimethyl-16-methylidene-4,20-diazatetracyclo[12.7.0.01,18.02,6]henicosa-2,5,8,12-tetraene-7,21-dione
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78441854ChemSpider