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Ergocornine

URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML81187

Dataset description:

This MassBank record with Accession MSBNK-Washington_State_Univ-BML81187 contains the MS mass spectrum of Ergocornine with the InChIkey UJYGDMFEEDNVBF-OGGGUQDZSA-N.

Source: Ergocornine; LC-APCI-QTOF; MS; POSITIVE

Chemical Info

molecular Image

InChI	InChI=1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
SMILES	CC(C)[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChI Key	UJYGDMFEEDNVBF-OGGGUQDZSA-N
Exact Mass	561.295 g/mol

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Additional Information

Field	Value
Data last updated	January 11, 2024
Metadata last updated	January 11, 2024
Created	January 11, 2024
Format	HTML
License	Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Id	3cf9a6ef-ab7c-4a51-98ac-bcdb50c01f0d
Package id	msbnk-washington_state_univ-bml81187
Resource type	HTML
State	active