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validoxylamine A

PropertiesImage
MNX_IDMNXM13249 Image of MNXM13249
referencechebi:111505
formulaC14H26NO8
global charge1
mol weight336.361
InChIKeyYCJYNBLLJHFIIW-MBABXGOBSA-O
InChIInChI=1S/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/p+1/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1
SMILESOCC1=C[C@H]([NH2+][C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2-4H2/t6-,7+,8+,9-,10-,11+,12+,13+,14+/m1/s1 Image of MNXM13249
SMILES (mnx)[CH:1]1=[C:5]([CH2:3][OH:16])[C@@H:9]([OH:18])[C@H:13]([OH:22])[C@@H:11]([OH:20])[C@H:7]1[NH:15][C@H:8]1[CH2:2][C@H:6]([CH2:4][OH:17])[C@@H:10]([OH:19])[C@H:14]([OH:23])[C@H:12]1[OH:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:111505
chebi:111505
YCJYNBLLJHFIIW-MBABXGOBSA-O 		validoxylamine A
(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)-N-[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]cyclohex-2-en-1-aminium
validoxylamine A(1+)

kegg.compound:C17700
keggC:C17700
YCJYNBLLJHFIIW-MBABXGOBSA-N 		Validoxylamine A

CHEBI:131941
chebi:131941
YCJYNBLLJHFIIW-MBABXGOBSA-N 		validoxylamine A
(+)-validoxylamine A
(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

metacyc.compound:CPD-9669
metacycM:CPD-9669
seed.compound:cpd25783
seedM:cpd25783
YCJYNBLLJHFIIW-MBABXGOBSA-N
YCJYNBLLJHFIIW-MBABXGOBSA-O 		validoxylamine A
(1S,2S,3R,6S)-4-(hydroxymethyl)-6-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}cyclohex-4-ene-1,2,3-triol

keggC:M_C17700
seedM:M_cpd25783 		secondary/obsolete/fantasy identifier