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

Properties

Image

Occurences in reactions

MNX_ID

MNXM116173

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₇H₂₄O₇

charge

mass

340.1522

reference

chebi:177657

InChIKey

CSYVMZMEBKUDRQ-UETZSBHESA-N

InChI

InChI=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

SMILES

CC(=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

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Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:177657 chebi:177657	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	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	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