CHEBI:141954 - Strychnogucine C

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ChEBI Name Strychnogucine C
ChEBI ID CHEBI:141954
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C42H42N4O3
Net Charge 0
Average Mass 650.809
Monoisotopic Mass 650.32569
InChI InChI=1S/C42H42N4O3/c1-2-22-21-44-31(19-42-28-8-4-5-9-29(28)45-34(47)12-11-24(38(42)45)25(22)17-33(42)44)36-37-35-26-18-32-41(14-15-43(32)20-23(26)13-16-49-37)27-7-3-6-10-30(27)46(39(35)41)40(36)48/h2-13,24-26,31-33,35-39H,14-21H2,1H3/b22-2-/t24?,25-,26-,31+,32-,33-,35-,36-,37+,38-,39-,41+,42+/m0/s1
InChIKey LYRBFJCNZKRZPT-SGGJILAYSA-N
SMILES C/C=C\1/CN2[C@](C[C@@]34C5=CC=CC=C5N6C(C=CC([C@]1(C[C@@]32[H])[H])[C@@]46[H])=O)([C@]7([C@]8([C@@]9([C@]%10(C[C@]%11([C@@]%12(CCN%11CC%10=CCO8)C%13=CC=CC=C%13N([C@@]9%12[H])C7=O)[H])[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 Strychnogucine C (CHEBI:141954) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
03 September 2018