Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C20H26O8S/c1-19(2)23-12-14(25-19)15-16(17-18(24-15)27-20(3,4)26-17)28-29(21,22)11-10-13-8-6-5-7-9-13/h5-11,14-18H,12H2,1-4H3/b11-10+/t14-,15-,16+,17-,18-/m1/s1
SMILES CC1(C)O[C@H]2[C@@H](O1)O[C@@H]([C@@H]2OS(=O)(=O)/C=C/c1ccccc1)[C@H]1COC(O1)(C)C
InChI Key FOZZOCLQRRJRQC-PPRZOJQRSA-N
Molecular Formula C20H26O8S
Exact Mass 426.481 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/FOZZOCLQRRJRQC-PPRZOJQRSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/FOZZOCLQRRJRQC-PPRZOJQRSA-N/CHMO0000470
Version
Author Georg Manolikakes
Maintainer Chemotion Repository
Language english
MetadataCreated 2025-01-29T10:10:18.177308
MetadataModified 2025-01-29T16:03:45.165138
MetadataPublished 2024-10-15
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