Strictosidine
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR311110
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR311110 contains the MS2 mass spectrum of Strictosidine with the InChIkey XBAMJZTXGWPTRM-UHFFFAOYSA-N.
Source: Strictosidine
Chemical Info
InChI | InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3 |
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SMILES | O=C(OC)C2=COC(OC1OC(CO)C(O)C(O)C1(O))C(C=C)C2CC4NCCC=3C=5C=CC=CC=5(NC=34) |
InChI Key | XBAMJZTXGWPTRM-UHFFFAOYSA-N |
Molecular Formula | C27H34N2O9 |
Exact Mass | 530.574 g/mol |
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Additional Information
Field | Value |
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Data last updated | January 11, 2024 |
Metadata last updated | January 11, 2024 |
Created | January 11, 2024 |
Format | HTML |
License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | a6c90b90-251d-40c6-9ccc-538ce8d8e3e6 |
Package id | msbnk-riken-pr311110 |
Resource type | HTML |
State | active |