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

License

No License Provided

Export

DCAT-AP(rdf/xml) DCAT-AP(ttl) DCAT-AP(jsonld) DCAT-AP-PLUS(xml) DCAT-AP-PLUS(tll) DCAT-AP-PLUS(jsonld)

Schema.Org(rdf/xml) Schema.Org(xml) Schema.Org(ttl) Schema.Org(jsonld)

Molecule

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

Chemical Information

10 Related Dataset(s) ⌄

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 10; R=17500; [M+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 20; R=17500; [M+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 30; R=17500; [M+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 40; R=17500; [M+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 55; R=17500; [M+H]+

3-Acetyldeoxynivalenol; LC-APCI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol60059
Source
Alternate Name	3-Acetyldeoxynivalenol 50722-38-8 3-Acetyl-deoxynivalenol 3-acetyl-DON 3-Acetyl don deoxynivalenol 3-acetate Deoxynivalenol monoacetate Dehydronivalenol monoacetate DON 3-ACETATE 838JJ2425Y VOMITOXIN 3-ACETATE UNII-838JJ2425Y 3-ADON CHEBI:146195 DTXSID60891850 NSC 267036 NSC-267036 [(1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-10-yl] acetate 3.ALPHA.-ACETOXY-12,13-EPOXYTRICHOTHEC-9-EN-8-ONE acetylDON 3-(acetyloxy)-12,13-epoxy-7alpha,15alpha-dihydroxytrichothec-9-en-8-one 7alpha,15-dihydroxy-8-oxo-12,13-epoxytrichothec-9-en-3alpha-yl acetate Trichothec-9-en-8-one, 3-(acetyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)- (3alpha,7alpha)-3-(acetyloxy)-12,13-epoxy-7,15-dihydroxytrichothec-9-en-8-one TRICHOTHEC-9-EN-8-ONE, 3-(ACETYLOXY)-12,13-EPOXY-7,15-DIHYDROXY-, (3.ALPHA.,7.ALPHA.)- ((1R,2R,3S,7R,9R,10R,12S)-3-hydroxy-2-(hydroxymethyl)-1,5-dimethyl-4-oxospiro(8-oxatricyclo(7.2.1.02,7)dodec-5-ene-12,2'-oxirane)-10-yl) acetate DTXCID301031271 3alpha-acetoxy-12,13-epoxytrichothec-9-en-8-one TRICHOTHEC-9-EN-8-ONE, 3-(ACETYLOXY)-12,13-EPOXY-7,15-DIHYDROXY-, (3ALPHA,7ALPHA)- 15-adon 3-Acetyl Deoxynivalenol 3-Acetyl-deoxynivalenol 100 microg/mL in Acetonitrile NSC267036 3-monoacetyldeoxynivalenol CHEMBL468652 SCHEMBL26675189 MSK7215 HY-N6685 MSK7215-100A AKOS040740666 3-Acetyldeoxynivalenol, reference material AS-75899 BA162704 DA-78608 PD041578 3-Acetyldeoxynivalenol, from Fusarium roseum CS-0099693 NS00094898 Q27269413 3-Acetyldeoxynivalenol Solution in Acetonitrile, 100ug/mL Trichothec-9-en-8-one,3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)-

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
DTXSID60891850	EPA CompTox Dashboard
ZINC000031160108	ZINC
5458510	PubChem
15422050	PubChem: Thomson Pharma
PD041578	ProbesDrugs
70070417	NMRShiftDB
499558	eMolecules
26756405	eMolecules
CHEMBL468652	ChEMBL
146195	ChEBI
HY-N6685	MedChemExpress
MTBLC146195	Metabolights
J275.534C	Nikkaji
ZULWEK	CCDC
838JJ2425Y	FDA SRS
The data in this table is sourced from UniChem at EBI.