Acarbose
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001370
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001370 contains the MS mass spectrum of Acarbose with the InChIkey XUFXOAAUWZOOIT-UGEKTDRHSA-N.
Source: Acarbose
Chemical Info
| InChI | InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(30)15(33)13(8)31)14(32)19(37)24(40-6)43-22-10(5-29)42-25(20(38)17(22)35)44-21-9(4-28)41-23(39)18(36)16(21)34/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14+,15+,16-,17-,18-,19-,20-,21-,22-,23?,24-,25-/m1/s1 |
|---|---|
| SMILES | OCC(=C1)C(O)C(O)C(O)C1NC(C(C)4)C(O)C(O)C(O4)OC(C(CO)3)C(O)C(O)C(O3)OC(C(CO)2)C(O)C(O)C(O)O2 |
| InChI Key | XUFXOAAUWZOOIT-UGEKTDRHSA-N |
| Molecular Formula | C25H43NO18 |
| Exact Mass | 645.248 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-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | a6dfa09d-7ca5-41a8-89cf-47ed569b0d5d |
| Package id | msbnk-waters-wa001370 |
| Resource type | HTML |
| State | active |