Molecule

(10-acetyloxy-3,4-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/C19H26O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-16,22-23H,6-8H2,1-4H3
SMILES	CC1=CC2C(C(C1O)O)(C3(CC(C(C34CO4)O2)OC(=O)C)C)COC(=O)C
InChI Key	JSKXQQKSUOVSKS-UHFFFAOYSA-N
Exact Mass	382.163 g/mol

5 Related Dataset(s) ⌄

7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M-H2O+H]+

7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M-H2O+H]+

7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M-H2O+H]+

7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 40; R=17500; [M-H2O+H]+

7,8-Dihydroxy calonectrin; LC-ESI-ITFT; MS2; CE: 55; R=17500; [M-H2O+H]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol23026
Source
Alternate Name	7,8-Dihydroxy calonectrin 7,8-Dihydroxycalonectrin 7alpha,8alpha-Dihydroxycalonectrin 7a,8a-Dihydroxycalonectrin CHEBI:169114 JSKXQQKSUOVSKS-UHFFFAOYSA-N NS00094900 Q42403325 (10-acetyloxy-3,4-dihydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl)methyl acetate

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
CHEBI:169114	chebi
557474	pubchem
HMDB0038916	hmdb
FDB018380	foodb
The data in this table is sourced from UniChem at EBI.