Dataset
Isomaltose
Chemical Info
InChI | InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2 |
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SMILES | C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)O)O)O)O)O)O |
InChI Key | DLRVVLDZNNYCBX-UHFFFAOYSA-N |
Molecular Formula | C12H22O11 |
Exact Mass | 342.116 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81483 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:28:29.553583 |
MetadataModified | 2024-01-11T22:28:29.714704 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
60023371 | NMRShiftDB |
PD055404 | ProbesDrugs |
1939754 | eMolecules |
585-99-9 | ACToR |
SCHEMBL12253360 | SureChEMBL |
181906 | ChEBI |
SCHEMBL19730599 | SureChEMBL |
MCULE-6880464706 | Mcule |
HMDB0248216 | Human Metabolome Database |
MELIBM | CCDC |
872 | PubChem |
The data in this table is sourced from UniChem at EBI. |