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CHEBI:229193 - Potanidine B

ChEBI IDCHEBI:229193
ChEBI NamePotanidine B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48N2O11
Net Charge0
Average Mass696.794
Monoisotopic Mass696.32581
SMILESCCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CCC(OC)C34C5CC6C(OC)C5[C@](OC(C)=O)(C[C@@H]6OC)[C@](O)(C(O)C32)C14
InChIInChI=1S/C37H48N2O11/c1-6-38-17-34(18-49-32(44)20-9-7-8-10-23(20)39-26(41)11-12-27(39)42)14-13-25(47-4)36-22-15-21-24(46-3)16-35(50-19(2)40,28(22)29(21)48-5)37(45,33(36)38)31(43)30(34)36/h7-10,21-22,24-25,28-31,33,43,45H,6,11-18H2,1-5H3/t21?,22?,24-,25?,28?,29?,30?,31?,33?,34-,35+,36?,37-/m0/s1
InChIKeyIZUZVAYMMFNKMJ-VXCIEECRSA-N
Species of MetaboliteComponentSourceComments
Zea mays (ncbitaxon:4577) exometabolome MetaboLights (MTBLS8903)
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)
Potanidine B (CHEBI:229193) has functional parent aconitane (CHEBI:35911)
Potanidine B (CHEBI:229193) is a diterpene alkaloid (CHEBI:23847)
IUPAC Name 
[(6S,8R,9R,13S)-8-acetyloxy-11-ethyl-9,18-dihydroxy-4,6,16-trimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-13-yl]methyl 2-(2,5-dioxopyrrolidin-1-yl)benzoate