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3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate

PropertiesImage
MNX_IDMNXM116173 Image of MNXM116173
referencechebi:177657
formulaC17H24O7
global charge0
mol weight340.372
InChIKeyCSYVMZMEBKUDRQ-UETZSBHESA-N
InChIInChI=1S/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)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]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)[C@@H](O)C[C@]3(CO)[C@]1(C)C21CO1
MNX internals
InChI (mnx)InChI=1/C17H24O7/c1-8-4-11-16(6-18,5-10(8)20)15(3)13(23-9(2)19)12(21)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 MNXM116173
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[OH:20])[C@@:15]1([CH3:3])[C@H:13]([O:23][C:9]([CH3:2])=[O:19])[C@@H:12]([OH:21])[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:177657
chebi:177657
CSYVMZMEBKUDRQ-UETZSBHESA-N 		3,8,15-Trihydroxy-12,13-epoxytrichothec-9-en-4-yl acetate
[(1S,2R,4S,7R,9R,10R,11S)-4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate
hmdb:HMDB0036157
CSYVMZMEBKUDRQ-UHFFFAOYSA-N 		15-Deacetylneosolaniol
4 beta-Acetoxy-12,13-epoxytrichothec-9-ene-3 alpha,8 alpha,15 triol
4',10'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetic acid
4',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0²,⁷]dodecan]-5'-en-11'-yl acetate
5-Hydroxyxanthotoxin
NT 2 Toxin
NT-2 Toxin
Toxin NT 2
Toxin NT-2

CHEBI:169050
chebi:169050
CSYVMZMEBKUDRQ-UHFFFAOYSA-N 		15-Deacetylneosolaniol
[4,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

hmdb:HMDB36157 		secondary/obsolete/fantasy identifier