CHEBI:82476 - Hydroxysenkirkine

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ChEBI Name Hydroxysenkirkine
ChEBI ID CHEBI:82476
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C19H28NO7
Net Charge +1
Average Mass 382.42810
Monoisotopic Mass 382.18603
InChI InChI=1S/C19H28NO7/c1-4-13-9-12(2)18(24,11-21)17(23)26-10-14-5-7-20(3)8-6-15(19(14,20)25)27-16(13)22/h4-5,12,15,21,24-25H,6-11H2,1-3H3/q+1/b13-4-/t12-,15-,18-,19+,20?/m1/s1
InChIKey CRWHRMSWJOLABX-NXWCFRFGSA-N
SMILES C\C=C1\C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CC[N+]3(C)CC[C@@H](OC1=O)[C@@]23O
ChEBI Ontology
Outgoing Hydroxysenkirkine (CHEBI:82476) is a citraconoyl group (CHEBI:23315)
Manual Xref Database
C19435 KEGG COMPOUND
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Registry Number Type Source
26782-43-4 CAS Registry Number KEGG COMPOUND