CHEBI:141863 - 18-hydroxyisosungucine

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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 18-hydroxyisosungucine
ChEBI ID CHEBI:141863
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/c1-2-23-22-44-34(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
InChIKey AJUAZNUVBAVUAY-PJZYDQQSSA-N
SMILES C/C=C\1/CN2[C@](C[C@@]34C5=CC=CC=C5N6C(C=C[C@@]([C@]1(C[C@@]32[H])[H])([C@@]46[H])[H])=O)([C@@]7(C=C8[C@]/9(C[C@]%10([C@@]%11(CCN%10C\C9=C\CO)C%12=CC=CC=C%12N([C@@]8%11[H])C7=O)[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 18-hydroxyisosungucine (CHEBI:141863) is a monoterpenoid indole alkaloid (CHEBI:65323)
Last Modified
31 August 2018