Dataset
Cellobiose
Chemical Info
InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2 |
---|---|
SMILES | C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O |
InChI Key | GUBGYTABKSRVRQ-UHFFFAOYSA-N |
Molecular Formula | C12H22O11 |
Exact Mass | 342.116 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80908 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:26:38.907574 |
MetadataModified | 2024-01-11T22:26:39.065826 |
MetadataPublished | 2016-01-19 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
294 | PubChem |
63-42-3 | ACToR |
528-50-7 | ACToR |
14641-93-1 | ACToR |
13360-52-6 | ACToR |
PD055406 | ProbesDrugs |
60023341 | NMRShiftDB |
SCHEMBL24202679 | SureChEMBL |
590728 | eMolecules |
5965-66-2 | ACToR |
6363-53-7 | ACToR |
69-79-4 | ACToR |
SCHEMBL20276017 | SureChEMBL |
BLACTO | CCDC |
HMDB0246552 | Human Metabolome Database |
SCHEMBL23708014 | SureChEMBL |
MCULE-2333127533 | Mcule |
SCHEMBL684118 | SureChEMBL |
The data in this table is sourced from UniChem at EBI. |