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Hydroxylated N-acetyl desmethyl frovatriptan

PropertiesImage
MNX_IDMNXM156646 Image of MNXM156646
referencechebi:169696
formulaC15H19N3O3
global charge0
mol weight289.335
InChIKeyCDCOGHQILPZANE-UHFFFAOYSA-N
InChIInChI=1S/C15H19N3O3/c1-7(19)17-9-2-3-12-10(6-9)11-4-8(15(16)21)5-13(20)14(11)18-12/h4-5,9-10,12,18,20H,2-3,6H2,1H3,(H2,16,21)(H,17,19)
SMILESCC(=O)NC1CCC2NC3=C(C=C(C(N)=O)C=C3O)C2C1
MNX internals
InChI (mnx)InChI=1/C15H19N3O3/c1-7(19)17-9-2-3-12-10(6-9)11-4-8(15(16)21)5-13(20)14(11)18-12/h4-5,9-10,12,18,20H,2-3,6H2,1H3,(H2,16,21)(H,17,19)/t9?,10?,12? Image of MNXM156646
SMILES (mnx)[CH3:1][C:7](=[N:17][CH:9]1[CH2:2][CH2:3][CH:12]2[CH:10]([CH2:6]1)[C:11]1=[CH:4][C:8]([C:15](=[NH:16])[OH:21])=[CH:5][C:13]([OH:20])=[C:14]1[NH:18]2)[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:169696
chebi:169696
CDCOGHQILPZANE-UHFFFAOYSA-N 		Hydroxylated N-acetyl desmethyl frovatriptan
6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide
hmdb:HMDB0061151
CDCOGHQILPZANE-UHFFFAOYSA-N 		Hydroxylated N-acetyl desmethyl frovatriptan
3-acetamido-8-hydroxy-2,3,4,4a,9,9a-hexahydro-1H-carbazole-6-carboxamide
6-acetamido-1-hydroxy-5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxamide

hmdb:HMDB61151 		secondary/obsolete/fantasy identifier