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CHEBI:203452 - Terpendole M

ChEBI IDCHEBI:203452
ChEBI NameTerpendole M
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SubmitterMetaboLights
DownloadsMolfile
FormulaC32H41NO6
Net Charge0
Average Mass535.681
Monoisotopic Mass535.29339
SMILESCC(C)=C[C@H]1O[C@H]2[C@H]3O[C@@]34[C@H](CC[C@@]3(C)[C@@]4(O)[C@@H](O)C[C@H]4Cc5c(nc6ccccc56)[C@@]43C)O[C@@H]2C(C)(C)O1
InChIInChI=1S/C32H41NO6/c1-16(2)13-23-37-24-26(28(3,4)38-23)36-22-11-12-29(5)30(6)17(15-21(34)32(29,35)31(22)27(24)39-31)14-19-18-9-7-8-10-20(18)33-25(19)30/h7-10,13,17,21-24,26-27,33-35H,11-12,14-15H2,1-6H3/t17-,21+,22+,23+,24-,26+,27-,29-,30-,31+,32+/m1/s1
InChIKeyMVICSSAKVWZSDJ-NHJVCWRJSA-N
Species of MetaboliteComponentSourceComments
Epichloe festucae var. lolii (ncbitaxon:73839) - PubMed (10552421)
ChEBI Ontology
Outgoing Relation(s)
Terpendole M (CHEBI:203452) is a organic heterotricyclic compound (CHEBI:26979)
Terpendole M (CHEBI:203452) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(1R,2S,13R,15S,16R,17S,19R,20R,22S,25S,27S)-1,2,24,24-tetramethyl-22-(2-methylprop-1-enyl)-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraene-15,16-diol
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78439662ChemSpider