CHEBI:9515 - Thalsimine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Thalsimine
ChEBI ID CHEBI:9515
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C38H40N2O7
Net Charge 0
Average Mass 636.735
Monoisotopic Mass 636.28355
InChI InChI=1S/C38H40N2O7/c1-40-16-14-26-34-29(40)18-23-9-12-30(41-2)32(19-23)46-25-10-7-22(8-11-25)17-28-27-21-33(31(42-3)20-24(27)13-15-39-28)47-36(34)38(45-6)37(44-5)35(26)43-4/h7-12,19-21,29H,13-18H2,1-6H3/t29-/m0/s1
InChIKey YWNUNVSMOKMJMG-LJAQVGFWSA-N
SMILES COc1ccc2C[C@@H]3N(C)CCc4c(OC)c(OC)c(OC)c(Oc5cc6c(CCN=C6Cc6ccc(Oc1c2)cc6)cc5OC)c34
ChEBI Ontology
Outgoing Thalsimine (CHEBI:9515) is a isoquinolines (CHEBI:24922)
Synonym Source
Thalsimine KEGG COMPOUND
Manual Xrefs Databases
C00001923 KNApSAcK
C09661 KEGG COMPOUND
View more database links
Registry Number Type Source
5525-36-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014