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CHEBI:184092 - Puberanidine

ChEBI IDCHEBI:184092
ChEBI NamePuberanidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42N2O7
Net Charge0
Average Mass542.673
Monoisotopic Mass542.29920
SMILES[H][C@@]12C[C@@]3([H])C45C(OC)CC[C@@]6(OC(=O)c7ccccc7N)CN(CC)C4C(C[C@@]56[H])[C@@](O)(C[C@@H]1OC)[C@@]3(O)[C@H]2OC
InChIInChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18?,20+,21-,22+,23?,24?,25+,27-,28+,29?,30+/m1/s1
InChIKeyVSUODASNSRJNCP-BXUVZERWSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Puberanidine (CHEBI:184092) has functional parent aconitane (CHEBI:35911)
Puberanidine (CHEBI:184092) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
[(2S,3S,4S,5R,6S,8S,13S,16S,17S)-11-ethyl-3,8-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl] 2-aminobenzoate
Manual XrefsDatabases
21250823ChemSpider