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CHEBI:216968 - Janthitrem D

ChEBI IDCHEBI:216968
ChEBI NameJanthitrem D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H47NO5
Net Charge0
Average Mass585.785
Monoisotopic Mass585.34542
SMILESC=C(C)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4Cc5c(nc6cc7c(cc56)C[C@H]5C7=CC(C)(C)OC5(C)C)[C@@]43C)[C@]23O[C@@H]3[C@H]1O
InChIInChI=1S/C37H47NO5/c1-18(2)29-28(39)31-37(42-31)27(41-29)10-11-34(7)35(8)20(9-12-36(34,37)40)15-23-22-13-19-14-25-24(17-32(3,4)43-33(25,5)6)21(19)16-26(22)38-30(23)35/h13,16-17,20,25,27-29,31,38-40H,1,9-12,14-15H2,2-8H3/t20-,25-,27-,28-,29+,31+,34+,35+,36-,37-/m0/s1
InChIKeyUXZOBGCWFHHVSB-SAIJFAOISA-N
Species of MetaboliteComponentSourceComments
Penicillium janthinellum (ncbitaxon:5079) - PubMed (30482018)
ChEBI Ontology
Outgoing Relation(s)
Janthitrem D (CHEBI:216968) is a organic heterotricyclic compound (CHEBI:26979)
Janthitrem D (CHEBI:216968) is a organooxygen compound (CHEBI:36963)
IUPAC Name 
(2S,3R,6S,8R,9S,10R,12S,13S,16S,23S)-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(31),20,27,29-pentaene-9,13-diol