CHEBI:141876 - Acetyl-splendoline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Acetyl-splendoline
ChEBI ID CHEBI:141876
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C23H28N2O5
Net Charge 0
Average Mass 412.480
Monoisotopic Mass 412.19982
InChI InChI=1S/C23H28N2O5/c1-12(26)19(27)21(28)25-18-6-4-3-5-17(18)22-7-8-24-10-15-13(2)30-11-16(20(22)25)14(15)9-23(22,24)29/h3-6,13-16,19-20,27,29H,7-11H2,1-2H3/t13-,14+,15+,16-,19?,20+,22+,23-/m1/s1
InChIKey KWKIZOMEDRRFKB-MCTXSVFTSA-N
SMILES CC(C(C(N1C2=CC=CC=C2[C@]34CCN5C[C@]6([C@@H](C)OC[C@]([C@]6(C[C@@]35O)[H])([C@@]41[H])[H])[H])=O)O)=O
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 Acetyl-splendoline (CHEBI:141876) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
31 August 2018