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(11s,13s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol

MNXM1106152 is deprecated and here replaced by MNXM1364262
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1364262 Image of MNXM1364262
referencechebi:229828
formulaC11H17N3O8
global charge0
mol weight319.27
InChIKeyCFMYXEVWODSLAX-UFHSVNPDSA-N
InChIInChI=1S/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2?,3?,4?,5-,6?,7-,9?,10?,11?/m0/s1
SMILESNC1=NC(O)C2C3OC4(O)O[C@@H](C(O)C2(N1)[C@@H]4O)C3(O)CO
MNX internals
InChI (mnx)InChI=1/C11H17N3O8/c12-8-13-6(17)2-4-9(19,1-15)5-3(16)10(2,14-8)7(18)11(20,21-4)22-5/h2-7,15-20H,1H2,(H3,12,13,14)/t2?,3?,4?,5-,6?,7-,9?,10?,11?/m0/s1 Image of MNXM1364262
SMILES (mnx)[CH2:1]([C:9]1([OH:19])[CH:4]2[CH:2]3[CH:6]([OH:17])[NH:13][C:8](=[NH:12])[NH:14][C:10]34[CH:3]([OH:16])[C@@H:5]1[O:22][C:11]([OH:20])([C@H:7]4[OH:18])[O:21]2)[OH:15]
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:229828
chebi:229828
CFMYXEVWODSLAX-UFHSVNPDSA-N 		(11s,13s)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.1~7,11~.0~1,6~]tetradec-3-ene-5,9,12,13,14-pentol
(11S,13S)-3-amino-14-(hydroxymethyl)-8,10-dioxa-2,4-diazatetracyclo[7.3.1.17,11.01,6]tetradec-3-ene-5,9,12,13,14-pentol

seed.compound:cpd08503
seedM:cpd08503
CFMYXEVWODSLAX-UFHSVNPDSA-O 		Tetrodotoxin
TTX

seedM:M_cpd08503 		secondary/obsolete/fantasy identifier