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Nummularine B

Properties

Image

Occurences in reactions

MNX_ID

MNXM128782

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

formula

C₃₂H₄₁N₅O₆

charge

mass

591.30568

reference

hmdb:HMDB0029334

InChIKey

ZAVCUVYFGQXSRX-FYWRMAATSA-N

InChI

InChI=1S/C32H41N5O6/c1-19(2)27(36-29(38)20(3)33-4)32(41)37-16-14-26-28(37)31(40)35-24(17-21-9-7-6-8-10-21)30(39)34-15-13-22-18-23(43-26)11-12-25(22)42-5/h6-13,15,18-20,24,26-28,33H,14,16-17H2,1-5H3,(H,34,39)(H,35,40)(H,36,38)/b15-13+

SMILES

CNC(C)/C(O)=N/C(C(=O)N1CCC2Oc3ccc(OC)c(c3)/C=C/N=C(/O)C(Cc3ccccc3)/N=C(/O)C21)C(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0029334	Nummularine B (2S)-N-[(2S)-1-[(3S,7S,10R,13Z)-10-Benzyl-8,11-dihydroxy-16-methoxy-2-oxa-6,9,12-triazatricyclo[13.3.1.0,]nonadeca-1(18),8,11,13,15(19),16-hexaen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanimidate (2S)-N-[(2S)-1-[(3S,7S,10R,13Z)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.0^{3,7}]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(methylamino)propanamide Daechuine S27 N-Demethylamphibine H
hmdb:HMDB29334	secondary/obsolete/fantasy identifier