Molecule

(10,11-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate

Chemical Information

Molecular Image

InChI	InChI=1S/C17H24O6/c1-9-4-5-16(7-21-10(2)18)11(6-9)23-14-12(19)13(20)15(16,3)17(14)8-22-17/h6,11-14,19-20H,4-5,7-8H2,1-3H3
SMILES	CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C
InChI Key	IRXDUBNENLKYTC-UHFFFAOYSA-N
Exact Mass	324.157 g/mol

6 Related Dataset(s) ⌄

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 15%; R=7500; [M+H]+

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 20%; R=7500; [M+H]+

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 30%; R=7500; [M+H]+

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 40%; R=7500; [M+H]+

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 50%; R=7500; [M+H]+

15 Acetoxyscirpenol; LC-ESI-ITFT; MS2; CE: 60%; R=7500; [M+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol14563
Source
Alternate Name

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:175144	chebi
CHEBI:201482	chebi
429922	pubchem
PD044464	probes_and_drugs
HMDB0035848	hmdb
FDB014626	foodb
The data in this table is sourced from UniChem at EBI.