Dataset
Myriocin-12-en
Chemical Info
InChI | InChI=1S/C21H37NO6/c1-2-3-4-10-13-17(24)14-11-8-6-5-7-9-12-15-18(25)19(26)21(22,16-23)20(27)28/h9,11-12,14,18-19,23,25-26H,2-8,10,13,15-16,22H2,1H3,(H,27,28)/b12-9+,14-11+/t18-,19+,21+/m1/s1 |
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SMILES | CCCCCCC(=O)C=CCCCCC=CC[C@@H](O)[C@H](O)[C@@](N)(CO)C(O)=O |
InChI Key | AHRPEPPVBKPDJQ-LEBSLOHFSA-N |
Molecular Formula | C21H37NO6 |
Exact Mass | 399.262 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00783 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T16:42:12.129215 |
MetadataModified | 2024-01-11T16:42:12.341279 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J3.500.261H | Nikkaji |
132557479 | PubChem |
181458 | ChEBI |
The data in this table is sourced from UniChem at EBI. |