Dataset
Fumonisin B1
Chemical Info
InChI | InChI=1S/C34H59NO15/c1-5-6-9-20(3)32(50-31(44)17-23(34(47)48)15-29(41)42)27(49-30(43)16-22(33(45)46)14-28(39)40)13-19(2)12-24(36)10-7-8-11-25(37)18-26(38)21(4)35/h19-27,32,36-38H,5-18,35H2,1-4H3,(H,39,40)(H,41,42)(H,45,46)(H,47,48)/t19-,20+,21-,22+,23+,24+,25+,26-,27-,32+/m0/s1 |
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SMILES | CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)C[C@@H](CCCC[C@H](C[C@@H]([C@H](C)N)O)O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O |
InChI Key | UVBUBMSSQKOIBE-DSLOAKGESA-N |
Molecular Formula | C34H59NO15 |
Exact Mass | 721.388 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-AAFC-AC000474 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:22:49.604388 |
MetadataModified | 2024-01-11T09:22:49.766257 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
ZINC000004262459 | ZINC |
LMSP01080022 | LipidMaps |
HY-N6719 | MedChemExpress |
210157 | Brenda |
715645 | eMolecules |
7192 | Brenda |
MTBLC38221 | Metabolights |
J2.717.077C | Nikkaji |
SCHEMBL13555629 | SureChEMBL |
3ZZM97XZ32 | FDA SRS |
CHEMBL5282242 | ChEMBL |
14913313 | PubChem: Thomson Pharma |
2733487 | PubChem |
15014374 | PubChem: Thomson Pharma |
80004798 | NMRShiftDB |
PD020883 | ProbesDrugs |
38221 | ChEBI |
The data in this table is sourced from UniChem at EBI. |