CHEBI:141903 - Geissolosimine

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ChEBI Name Geissolosimine
ChEBI ID CHEBI:141903
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C38H44N4O
Net Charge 0
Average Mass 572.784
Monoisotopic Mass 572.35151
InChI InChI=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
InChIKey CSVWQRLFFUNUND-UFEKRQKTSA-N
SMILES CC[C@@]1(CN2CC[C@@]34C5=CC=CC=C5N6[C@]4([C@@](CO[C@]6(C7[C@@]/8(C[C@]9(C%10=C(C[C@@]7(N9C\C8=C\C)[H])C%11=CC=CC=C%11N%10)[H])[H])[H])([C@]1(C[C@]32[H])[H])[H])[H])[H]
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Geissolosimine (CHEBI:141903) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
31 August 2018