Dataset

Myriocin-12-en

This MassBank record with Accession MSBNK-Fiocruz-FIO00783 contains the MS2 mass spectrum of Myriocin-12-en with the InChIkey AHRPEPPVBKPDJQ-LEBSLOHFSA-N.

Chemical Info

molecular Image
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
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
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
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J3.500.261H Nikkaji
132557479 PubChem
181458 ChEBI
The data in this table is sourced from UniChem at EBI.