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CHEBI:141903 - Geissolosimine

ChEBI IDCHEBI:141903
ChEBI NameGeissolosimine
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC38H44N4O
Net Charge0
Average Mass572.797
Monoisotopic Mass572.35151
SMILES[H][C@@]1(CC)CN2CC[C@]34c5ccccc5N5[C@@]3([H])[C@@]([H])(CO[C@@]5([H])C3[C@]5([H])Cc6c(nc7ccccc67)[C@]6([H])C[C@]3([H])/C(=C\C)CN65)[C@@]1([H])C[C@@]24[H]
InChIInChI=1S/C38H44N4O/c1-3-21-18-40-14-13-38-28-10-6-8-12-30(28)42-36(38)27(24(21)17-33(38)40)20-43-37(42)34-25-15-32-35-26(23-9-5-7-11-29(23)39-35)16-31(34)41(32)19-22(25)4-2/h4-12,21,24-25,27,31-34,36-37,39H,3,13-20H2,1-2H3/b22-4-/t21-,24+,25-,27+,31+,32+,33-,34?,36+,37+,38-/m1/s1
InChIKeyCSVWQRLFFUNUND-UFEKRQKTSA-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)
Geissolosimine (CHEBI:141903) is a monoterpenoid indole alkaloid (CHEBI:65323)