CHEBI:141915 - Isostrychnopentamine A

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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 Isostrychnopentamine A
ChEBI ID CHEBI:141915
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C35H43N5O
Net Charge 0
Average Mass 549.750
Monoisotopic Mass 549.34676
InChI InChI=1S/C35H43N5O/c1-4-21-20-40-17-14-26-24-11-12-31(41)32(28-10-7-15-38(28)2)35(24)37-34(26)30(40)19-22(21)18-29-33-25(13-16-39(29)3)23-8-5-6-9-27(23)36-33/h4-6,8-9,11-12,21-22,28-30,36-37,41H,1,7,10,13-20H2,2-3H3/t21-,22-,28-,29-,30-/m0/s1
InChIKey PHLJPJICTIGOKC-RZVVXSKCSA-N
SMILES C=C[C@]1(CN2CCC=3C=4C=CC(=C([C@@]5(CCCN5C)[H])C4NC3[C@@]2(C[C@@]1(C[C@]6(C7=C(CCN6C)C8=CC=CC=C8N7)[H])[H])[H])O)[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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Isostrychnopentamine A (CHEBI:141915) is a monoterpenoid indole alkaloid (CHEBI:65323)