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CHEBI:141863 - 18-hydroxyisosungucine

ChEBI IDCHEBI:141863
ChEBI Name18-hydroxyisosungucine
Stars
Last Modified31 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC42H42N4O3
Net Charge0
Average Mass650.823
Monoisotopic Mass650.32569
SMILES[H][C@]12C=CC(=O)N3c4ccccc4[C@@]4(C[C@]([H])([C@]5([H])C=C6[C@@]7([H])C[C@]8([H])N(CC[C@@]89c8ccccc8N(C5=O)[C@@]69[H])C/C7=C/CO)N5C/C(=C/C)[C@]1([H])C[C@]54[H])[C@@]32[H]
InChIInChI=1S/C42H42N4O3/c1-2-23-22-44-34(20-42-31-8-4-5-9-32(31)45-37(48)12-11-25(38(42)45)26(23)19-36(42)44)29-17-28-27-18-35-41(14-15-43(35)21-24(27)13-16-47)30-7-3-6-10-33(30)46(39(28)41)40(29)49/h2-13,17,25-27,29,34-36,38-39,47H,14-16,18-22H2,1H3/b23-2-,24-13-/t25-,26-,27-,29-,34+,35-,36-,38-,39-,41+,42+/m0/s1
InChIKeyAJUAZNUVBAVUAY-PJZYDQQSSA-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)
18-hydroxyisosungucine (CHEBI:141863) is a monoterpenoid indole alkaloid (CHEBI:65323)