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4,8-Diacetyl-T2-tetrol

PropertiesImage
MNX_IDMNXM117781 Image of MNXM117781
referencechebi:175886
formulaC19H26O8
global charge0
mol weight382.409
InChIKeyUROCTWOJYLMRHO-UHFFFAOYSA-N
InChIInChI=1S/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3
SMILESCC(=O)OC1CC2(CO)C(C=C1C)OC1C(O)C(OC(C)=O)C2(C)C12CO2
MNX internals
InChI (mnx)InChI=1/C19H26O8/c1-9-5-13-18(7-20,6-12(9)25-10(2)21)17(4)15(26-11(3)22)14(23)16(27-13)19(17)8-24-19/h5,12-16,20,23H,6-8H2,1-4H3/t12?,13?,14?,15?,16?,17?,18?,19? Image of MNXM117781
SMILES (mnx)[CH3:1][C:9]1=[CH:5][CH:13]2[C:18]([CH2:7][OH:20])([CH2:6][CH:12]1[O:25][C:10]([CH3:2])=[O:21])[C:17]1([CH3:4])[CH:15]([O:26][C:11]([CH3:3])=[O:22])[CH:14]([OH:23])[CH:16]([C:19]13[CH2:8][O:24]3)[O:27]2
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:175886
chebi:175886
UROCTWOJYLMRHO-UHFFFAOYSA-N 		4,8-Diacetyl-T2-tetrol
[11-acetyloxy-10-hydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
hmdb:HMDB0035201
UROCTWOJYLMRHO-UHFFFAOYSA-N 		4,8-Diacetyl-T2-tetrol
4 beta, 8 alpha-Diacetoxy-12,13-epoxytrichothec-9-ene-3 alpha,15-diol
4'-(Acetyloxy)-10'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetic acid
4'-(acetyloxy)-10'-hydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
Isoneosolaniol
NT 1
NT 1 Toxin
Toxin NT 1
Toxin NT-1
Toxin T 1
Toxin T1

hmdb:HMDB35201 		secondary/obsolete/fantasy identifier