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CHEBI:138854 - Penitrem D

ChEBI IDCHEBI:138854
ChEBI NamePenitrem D
Stars
Last Modified26 October 2017
Submittermwilliams
DownloadsMolfile
FormulaC37H45NO4
Net Charge0
Average Mass567.770
Monoisotopic Mass567.33486
SMILES[H][C@@]12CC[C@@]3(O)C4=C[C@@H](O)[C@@H](C(=C)C)O[C@@]4([H])CC[C@]3(C)[C@@]1(C)c1nc3ccc4c5c3c1[C@@]2([H])OC(C)(C)[C@@]1([H])C[C@]([H])(C(=C)C4)[C@]51[H]
InChIInChI=1S/C37H45NO4/c1-17(2)31-25(39)16-22-26(41-31)11-12-35(6)36(7)21(10-13-37(22,35)40)32-30-29-24(38-33(30)36)9-8-19-14-18(3)20-15-23(28(20)27(19)29)34(4,5)42-32/h8-9,16,20-21,23,25-26,28,31-32,38-40H,1,3,10-15H2,2,4-7H3/t20-,21+,23+,25-,26+,28+,31-,32+,35-,36-,37-/m1/s1
InChIKeyXOASTWITKYDKAJ-PPQPEBMASA-N
ChEBI Ontology
Outgoing Relation(s)
Penitrem D (CHEBI:138854) is a organic heterotricyclic compound (CHEBI:26979)
Penitrem D (CHEBI:138854) is a organooxygen compound (CHEBI:36963)
Synonym  Source
C20596KEGG COMPOUND