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CHEBI:216962 - Janthitrem A

ChEBI IDCHEBI:216962
ChEBI NameJanthitrem A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47NO6
Net Charge0
Average Mass601.784
Monoisotopic Mass601.34034
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6cc7c(cc56)[C@@H](O)[C@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C37H47NO6/c1-17(2)29-28(40)31-37(43-31)25(42-29)10-11-34(7)35(8)18(9-12-36(34,37)41)13-22-20-14-21-19(15-24(20)38-30(22)35)23-16-32(3,4)44-33(5,6)26(23)27(21)39/h14-16,18,25-29,31,38-41H,1,9-13H2,2-8H3/t18-,25-,26+,27+,28-,29+,31+,34+,35+,36-,37-/m0/s1
InChIKeyZHNJCSDFBNOBNM-MUVGSFBYSA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (30482018)
ChEBI Ontology
Outgoing Relation(s)
Janthitrem A (CHEBI:216962) is a organic heterotricyclic compound (CHEBI:26979)
Janthitrem A (CHEBI:216962) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3R,6S,8R,9S,10R,12S,13S,16S,22S,23R)-2,3,24,24,26,26-hexamethyl-8-prop-1-en-2-yl-7,11,25-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.021,29.023,28]dotriaconta-1(18),19,21(29),27,30-pentaene-9,13,22-triol
Manual XrefsDatabases
84400575ChemSpider