CHEBI:1446 - 3-Acetylnerbowdine

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ChEBI Name 3-Acetylnerbowdine
ChEBI ID CHEBI:1446
Stars This entity has been manually annotated by a third party.
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Formula C19H23NO6
Net Charge 0
Average Mass 361.390
Monoisotopic Mass 361.15254
InChI InChI=1S/C19H23NO6/c1-10(21)26-11-5-15-19(16(22)6-11)3-4-20(15)8-12-13(19)7-14-18(17(12)23-2)25-9-24-14/h7,11,15-16,22H,3-6,8-9H2,1-2H3/t11-,15-,16-,19+/m1/s1
InChIKey BSVABPABKQCTBP-GZJVQYRHSA-N
SMILES COc1c2OCOc2cc2c1CN1CC[C@@]22[C@H]1C[C@H](C[C@H]2O)OC(C)=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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Acetylnerbowdine (CHEBI:1446) is a alkaloid (CHEBI:22315)
Synonym Source
3-Acetylnerbowdine KEGG COMPOUND
Manual Xrefs Databases
C00001558 KNApSAcK
C08514 KEGG COMPOUND
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Registry Number Type Source
100196-22-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014