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CHEBI:210892 - Sespendole

ChEBI IDCHEBI:210892
ChEBI NameSespendole
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FormulaC33H45NO4
Net Charge0
Average Mass519.726
Monoisotopic Mass519.33486
SMILESCC(C)=CCc1c([C@H](O)C2OC2(C)C)ccc2nc3c(c12)C[C@@H]1CC[C@@]2(O)C(C)(C)C(=O)CC[C@]2(C)[C@@]31C
InChIInChI=1S/C33H45NO4/c1-18(2)9-10-20-21(26(36)28-30(5,6)38-28)11-12-23-25(20)22-17-19-13-16-33(37)29(3,4)24(35)14-15-31(33,7)32(19,8)27(22)34-23/h9,11-12,19,26,28,34,36-37H,10,13-17H2,1-8H3/t19-,26-,28?,31+,32+,33+/m0/s1
InChIKeyQMEIUISJYPRNPF-ZWXFSXOLSA-N
Species of MetaboliteComponentSourceComments
Pseudobotrytis (ncbitaxon:1293528) - PubMed (16915817)
ChEBI Ontology
Outgoing Relation(s)
Sespendole (CHEBI:210892) is a indoles (CHEBI:24828)
IUPAC Name 
(1S,12S,15S,20R)-7-[(S)-(3,3-dimethyloxiran-2-yl)-hydroxymethyl]-15-hydroxy-1,16,16,20-tetramethyl-8-(3-methylbut-2-enyl)-3-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-2(10),4(9),5,7-tetraen-17-one
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9773600ChemSpider