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CHEBI:142809 - O-trimethoxy-3,4,5-cinnamate-OH-vincamajine

ChEBI IDCHEBI:142809
ChEBI NameO-trimethoxy-3,4,5-cinnamate-OH-vincamajine
Stars
ASCII NameO-trimethoxy-3,4,5-cinnamate-OH-vincamajine
Last Modified19 December 2018
Submittermwilliams
DownloadsMolfile
FormulaC34H38N2O8
Net Charge0
Average Mass602.684
Monoisotopic Mass602.26282
SMILES[H][C@]1(OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C23C[C@]4([H])N5C/C(=C/C)[C@]([H])(C[C@@]5([H])[C@@]2([H])N(C)c2ccc(O)cc23)C14C(=O)OC
InChIInChI=1S/C34H38N2O8/c1-7-19-17-36-24-15-21(19)34(32(39)43-6)27(36)16-33(22-14-20(37)9-10-23(22)35(2)30(24)33)31(34)44-28(38)11-8-18-12-25(40-3)29(42-5)26(13-18)41-4/h7-14,21,24,27,30-31,37H,15-17H2,1-6H3/b11-8+,19-7-/t21-,24-,27-,30+,31-,33?,34?/m0/s1
InChIKeyJUTVABDBDZKNDP-GPBSOYAMSA-N
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)
O-trimethoxy-3,4,5-cinnamate-OH-vincamajine (CHEBI:142809) is a monoterpenoid indole alkaloid (CHEBI:65323)