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CHEBI:223994 - 31-Epilolitrem N

ChEBI IDCHEBI:223994
ChEBI Name31-Epilolitrem N
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H49NO7
Net Charge0
Average Mass619.799
Monoisotopic Mass619.35090
SMILESCC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6ccc7c(c56)C[C@H]5[C@H](C7=O)C(C)(C)OC5(C)C)[C@@]43C)[C@]23OC3[C@@H]1O
InChIInChI=1S/C37H49NO7/c1-31(2,41)29-27(40)30-37(44-30)23(43-29)12-13-34(7)35(8)17(11-14-36(34,37)42)15-20-24-19-16-21-25(33(5,6)45-32(21,3)4)26(39)18(19)9-10-22(24)38-28(20)35/h9-10,17,21,23,25,27,29-30,38,40-42H,11-16H2,1-8H3/t17-,21-,23-,25+,27+,29-,30?,34+,35+,36-,37-/m0/s1
InChIKeyGIHSQRKLXKCZNX-JHBBVYBMSA-N
Species of MetaboliteComponentSourceComments
Neotyphodium (ncbitaxon:45284) - PubMed (10554283)
ChEBI Ontology
Outgoing Relation(s)
31-Epilolitrem N (CHEBI:223994) is a organic heterotricyclic compound (CHEBI:26979)
31-Epilolitrem N (CHEBI:223994) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3R,6S,8S,9R,12S,13S,16S,22S,26S)-9,13-dihydroxy-8-(2-hydroxypropan-2-yl)-2,3,23,23,25,25-hexamethyl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-one
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78439755ChemSpider