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CHEBI:209960 - Oxichaetoglobosin C/D

ChEBI IDCHEBI:209960
ChEBI NameOxichaetoglobosin C/D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H40N2O6
Net Charge0
Average Mass560.691
Monoisotopic Mass560.28864
SMILESC=C1[C@@H](C)[C@H]2[C@H](C(OC)c3cnc4ccccc34)NC(=O)[C@]23C(=O)CC[C@H](O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChIInChI=1S/C33H40N2O6/c1-17-9-8-11-23-30(39)20(4)19(3)27-28(31(41-5)22-16-34-24-12-7-6-10-21(22)24)35-32(40)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19,23,25,27-28,30-31,34,36,39H,4,9,13-14H2,1-3,5H3,(H,35,40)/b11-8+,18-15+/t17-,19+,23-,25-,27-,28+,30+,31?,33+/m0/s1
InChIKeyLUBLLQPGGMSOSR-BELSMZPMSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxichaetoglobosin C/D (CHEBI:209960) is a indoles (CHEBI:24828)
IUPAC Name 
(1R,5S,7E,9S,11E,13R,14S,16S,17R,18R)-5,14-dihydroxy-18-[1H-indol-3-yl(methoxy)methyl]-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,6,20-trione
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