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11-Hydroxytubotaiwine

Properties

Image

Occurences in reactions

MNX_ID

MNXM116111

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₂₀H₂₄N₂O₃

charge

mass

340.17869

reference

InChIKey

ILEBWSZOKJHVSX-UHFFFAOYSA-N

InChI

InChI=1S/C20H24N2O3/c1-3-12-13-6-8-22-9-7-20(18(12)22)14-5-4-11(23)10-15(14)21-17(20)16(13)19(24)25-2/h4-5,10,12-13,18,21,23H,3,6-9H2,1-2H3

SMILES

CCC1C2CCN3CCC4(C(=C2C(=O)OC)Nc2cc(O)ccc24)C13

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:174590 chebi:174590	11-Hydroxytubotaiwine methyl 18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2(7),3,5,9-tetraene-10-carboxylate
hmdb:HMDB0040799	11-Hydroxytubotaiwine Methyl 18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carboxylic acid methyl 18-ethyl-5-hydroxy-8,14-diazapentacyclo[9.5.2.0¹,⁹.0²,⁷.0¹⁴,¹⁷]octadeca-2(7),3,5,9-tetraene-10-carboxylate
hmdb:HMDB40799	secondary/obsolete/fantasy identifier