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Tetraphyllin B sulfate

PropertiesImage
MNX_IDMNXM131123 Image of MNXM131123
referencechebi:165236
formulaC12H17NO10S
global charge0
mol weight367.332
InChIKeyOXUIYNFEUWRHJJ-UHFFFAOYSA-N
InChIInChI=1S/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)
SMILESN#CC1(OC2OC(CO)C(O)C(O)C2O)C=CC(OS(=O)(=O)O)C1
MNX internals
InChI (mnx)InChI=1/C12H17NO10S/c13-5-12(2-1-6(3-12)23-24(18,19)20)22-11-10(17)9(16)8(15)7(4-14)21-11/h1-2,6-11,14-17H,3-4H2,(H,18,19,20)/t6?,7?,8?,9?,10?,11?,12? Image of MNXM131123
SMILES (mnx)[CH:1]1=[CH:2][C:12]([C:5]#[N:13])([O:22][CH:11]2[CH:10]([OH:17])[CH:9]([OH:16])[CH:8]([OH:15])[CH:7]([CH2:4][OH:14])[O:21]2)[CH2:3][CH:6]1[O:23][S:24]([OH:18])(=[O:19])=[O:20]
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:165236
chebi:165236
OXUIYNFEUWRHJJ-UHFFFAOYSA-N 		Tetraphyllin B sulfate
[4-cyano-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclopent-2-en-1-yl] hydrogen sulate
hmdb:HMDB0038486
OXUIYNFEUWRHJJ-UHFFFAOYSA-N 		Tetraphyllin B sulfate
(4-Cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulfonate
(4-Cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulphonate
(4-Cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulphonic acid
(4-cyano-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-en-1-yl)oxidanesulfonic acid
Epi-tetraphyllin b sulfate
Epi-tetraphyllin b sulphate
Tetraphyllin b sulfate (KCS-1ca)
Tetraphyllin b sulfuric acid
Tetraphyllin b sulphate
Tetraphyllin b sulphuric acid

hmdb:HMDB38486 		secondary/obsolete/fantasy identifier