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CHEBI:169816 - soladulcidine

ChEBI IDCHEBI:169816
ChEBI Namesoladulcidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H45NO2
Net Charge0
Average Mass415.662
Monoisotopic Mass415.34503
SMILES[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@]5(CC[C@@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@H](O)C2
InChIInChI=1S/C27H45NO2/c1-16-7-12-27(28-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(29)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28-29H,5-15H2,1-4H3/t16-,17+,18+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1
InChIKeyXYNPYHXGMWJBLV-MFRNJXNGSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
soladulcidine (CHEBI:169816) is a azaspiro compound (CHEBI:35624)
soladulcidine (CHEBI:169816) is a oxaspiro compound (CHEBI:37948)
soladulcidine (CHEBI:169816) is a steroid (CHEBI:35341)
IUPAC Name 
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidine]-16-ol
Manual XrefsDatabases
224494ChemSpider