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CHEBI:9548 - Thiobinupharidine

ChEBI IDCHEBI:9548
ChEBI NameThiobinupharidine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC30H42N2O2S
Net Charge0
Average Mass494.745
Monoisotopic Mass494.29670
SMILES[H][C@@]1(c2ccoc2)CC[C@@H](C)[C@]2([H])CC[C@@]3(CS[C@@]4(CC[C@@]5([H])[C@H](C)CC[C@@]([H])(c6ccoc6)N5C4)C3)CN12
InChIInChI=1S/C30H42N2O2S/c1-21-3-5-27(23-9-13-33-15-23)31-18-29(11-7-25(21)31)17-30(35-20-29)12-8-26-22(2)4-6-28(32(26)19-30)24-10-14-34-16-24/h9-10,13-16,21-22,25-28H,3-8,11-12,17-20H2,1-2H3/t21-,22-,25+,26+,27+,28+,29+,30+/m1/s1
InChIKeyWBMOHCBEBDKSBI-JYZUVFRYSA-N
ChEBI Ontology
Outgoing Relation(s)
Thiobinupharidine (CHEBI:9548) is a quinolizines (CHEBI:38063)
Synonym  Source
ThiobinupharidineKEGG COMPOUND
Manual XrefsDatabases
C09990KEGG COMPOUND
C00001985KNApSAcK
Registry NumbersSources
CAS:30343-72-7KEGG COMPOUND