[(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

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Molecule

[(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate

Chemical Information

10 Related Dataset(s) ⌄

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+Na]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

Fusarenone-X; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol35648
Source
Alternate Name	FUSARENON X Fusarenone X Fusarenon-X 3-Acetylnivalenol UNII-0CV8D1DR96 CCRIS 4922 NSC 197211 NSC-197211 FUSARENON-X [HSDB] HSDB 3486 12,13-Epoxy-3-alpha,4-beta,7-beta,15-tetrahydroxytrichothec-9-en-8-one 4-acetate Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3alpha,4beta,7alpha)- Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3.alpha.,4.beta.,7.alpha.)- 4.BETA.-ACETOXY-3.ALPHA.,7.ALPHA.,15-TRIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE [(1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-3.ALPHA.,4.BETA.,7.ALPHA.,15-TETRAHYDROXY-, 4-ACETATE DTXSID1020649 Nivalenol4Oacetate ((1S,2R,3S,7R,9R,10R,11S,12S)-3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) acetate (1's,2S,2's,3's,7'r,9'r,10'r,11's)-3',10'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.0,)dodecan)-5'-en-11'-yl acetic acid (1's,2S,2's,3's,7'r,9'r,10'r,11's)-3',10'-Dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0,]dodecan]-5'-en-11'-yl acetic acid (3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-11-yl) acetate [3,10-dihydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-11-yl] acetate 3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro(oxirane-2,12'-tricyclo(7.2.1.02,7)dodecan)-5'-en-11'-yl acetate 3',10'-dihydroxy-2'-(hydroxymethyl)-1',5'-dimethyl-4'-oxo-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.02,7]dodecan]-5'-en-11'-yl acetate DTXCID10649 12,13-epoxy-3 alpha,4 beta,7 beta,15-tetrahydroxytrichothec-9-en-8-one 4-acetate 3,7,15Trihydroxy4acetoxy8oxo12,13epoxydelta(sup 9)trichothecene 3alpha,7alpha,15Trihydroxy4betaacetoxy12,13epoxytrichothec9en8one 12,13Epoxy3alpha,4beta,7alpha,15tetrahydroxytrichothec9en8one 4acetate 4Acetyloxy12,13epoxy3,7,15trihydroxy(3alpha,4beta,7alpha)trichothec9en8one Trichothec9en8one, 12,13epoxy3alpha,4beta,7alpha,15tetrahydroxy, 4acetate 4BETA-ACETOXY-3ALPHA,7ALPHA,15-TRIHYDROXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE Trichothec9en8one, 4(acetyloxy)12,13epoxy3,7,15trihydroxy, (3alpha,4beta,7alpha) 621-752-1 TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-3ALPHA,4BETA,7ALPHA,15-TETRAHYDROXY-, 4-ACETATE xgcucfkwviwwnw-uhfffaoysa-n 23255-69-8 Fusarenon Nivalenol monoacetate Nivalenol-4-O-acetate 0CV8D1DR96 3,7,15-Trihydroxyscirp-4-acetoxy-9-en-8-one NSC197211 4-Acetylnivalenol Fusarenone-X CHEMBL1079719 MSK7227 3,7,15-Trihydroxy-4-acetoxy-8-oxo-12,13-epoxy-delta(sup 9)-trichothecene 3alpha,7alpha,15-Trihydroxy-4beta-acetoxy-12,13-epoxytrichothec-9-en-8-one AKOS030254645 4-Acetyloxy-12,13-epoxy-3,7,15-trihydroxy-(3-alpha,4-beta,7-beta)-trichothec-9-en-8-one Trichothec-9-en-8-one, 12,13-epoxy-3alpha,4beta,7beta,15-tetrahydroxy-, 4-acetate BF162730 Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3alpha,4beta,7beta)- NS00098462 Q63395824 (3beta,4alpha,7alpha)-3,7,15-trihydroxy-8-oxo-12,13-epoxytrichothec-9-en-4-yl acetate 12,13-Epoxy-3alpha,4beta,7beta,15-tetrahydroxytrichothec-9-en-8-one 4-acetate 3,7,15-TRIHYDROXY-4-ACETOXY-8-OXO-12,13-EPOXY-.DELTA.(SUP 9)- TRICHOTHECENE 3.ALPHA.,7.ALPHA.,15-TRIHYDROXY-4.BETA.-ACETOXY-12,13- EPOXYTRICHOTHEC-9-EN-8-ONE 4beta-(acetyloxy)-12,13-epoxy-3alpha,7alpha,15-trihydroxy-trichothec-9-en-8-one Trichothec-9-en-8-one,13-epoxy-3,7,15-trihydroxy-, (3.alpha.,4.beta.,7.beta.)- Trichothec-9-en-8-one,13-epoxy-3.alpha.,4.beta.,7.beta.,15-tetrahydroxy-, 4-acetate 12,13-EPOXY-3.ALPHA.,4.BETA.,7.BETA.,15-TETRAHYDROXYTRICHOTHEC-9- EN-8-ONE 4-ACETATE 4-ACETYLOXY-12,13-EPOXY-3,7,15-TRIHYDROXY-(3-.ALPHA.,4-.BETA.,7- .BETA.)-TRICHOTHEC-9-EN-8-ONE TRICHOTHEC-9-EN-8-ONE, 12,13-EPOXY-3.ALPHA.,4.BETA.,7.BETA.,15- TETRAHYDROXY-, 4-ACETATE TRICHOTHEC-9-EN-8-ONE, 4-(ACETYLOXY)-12,13-EPOXY-3,7,15- TRIHYDROXY-, (3-.ALPHA.,4-.BETA.,7-.BETA.)- TRICHOTHEC-9-EN-8-ONE, 4-(ACETYLOXY)-12,13-EPOXY-3,7,15- TRIHYDROXY-, (3.ALPHA.,4.BETA.,7.BETA.)- Trichothec-9-en-8-one, 4-(acetyloxy)-12,13-epoxy-3,7,15-trihydroxy-, (3-alpha,4-beta,7-beta)-

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
304599	PubChem
PD044437	ProbesDrugs
60059546	NMRShiftDB
499552	eMolecules
0CV8D1DR96	FDA SRS
ZINC000005327851	ZINC
CHEMBL1079719	ChEMBL
J34.150I	Nikkaji
The data in this table is sourced from UniChem at EBI.