Retrorsine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00528
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00528 contains the MS2 mass spectrum of Retrorsine with the InChIkey BCJMNZRQJAVDLD-UHFFFAOYSA-N.
Source: Retrorsine
Chemical Info
InChI | InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3 |
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SMILES | CC=C1CC(C(C(=O)OCC2=CCN3C2C(CC3)OC1=O)(CO)O)C |
InChI Key | BCJMNZRQJAVDLD-UHFFFAOYSA-N |
Molecular Formula | C18H25NO6 |
Exact Mass | 351.168 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 | 40c9a225-48a6-4a42-b858-8f2c536eb518 |
Package id | msbnk-washington_state_univ-bml00528 |
Resource type | HTML |
State | active |