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8-acetoxy T-2 tetraol

PropertiesImage
MNX_IDMNXM118611 Image of MNXM118611
referencechebi:198253
formulaC17H24O7
global charge0
mol weight340.372
InChIKeyJEDSAONQRSEAMA-BNWDXEGFSA-N
InChIInChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1
SMILESCC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)[C@]12CO2
MNX internals
InChI (mnx)InChI=1/C17H24O7/c1-8-4-11-16(6-18,5-10(8)23-9(2)19)15(3)13(21)12(20)14(24-11)17(15)7-22-17/h4,10-14,18,20-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1 Image of MNXM118611
SMILES (mnx)[CH3:1][C:8]1=[CH:4][C@@H:11]2[C@:16]([CH2:6][OH:18])([CH2:5][C@@H:10]1[O:23][C:9]([CH3:2])=[O:19])[C@@:15]1([CH3:3])[C@H:13]([OH:21])[C@@H:12]([OH:20])[C@H:14]([C@@:17]13[CH2:7][O:22]3)[O:24]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:198253
chebi:198253
JEDSAONQRSEAMA-BNWDXEGFSA-N 		8-acetoxy T-2 tetraol
[(1S,2R,4S,7R,9R,10R,11S,12S)-10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate
hmdb:HMDB0036160
JEDSAONQRSEAMA-UHFFFAOYSA-N 		8-Acetyl-T2 tetrol
10',11'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl acetic acid
10',11'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-4'-yl acetate

CHEBI:168775
chebi:168775
JEDSAONQRSEAMA-UHFFFAOYSA-N 		8-Acetyl-T2 tetrol
[10,11-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-yl] acetate

hmdb:HMDB36160 		secondary/obsolete/fantasy identifier