SAFRAMYCIN-A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP000146
Dataset description:
This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP000146 contains the MS mass spectrum of SAFRAMYCIN-A with the InChIkey JNEGMBHBUAJRSX-KRPZRDOVSA-N.
Source: SAFRAMYCIN-A
Chemical Info
| InChI | InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)/t16?,17-,18-,19-,22?/m0/s1 |
|---|---|
| SMILES | O=C(C(C)=O)NCC(N52)(c(c1=O)c(CC2(C(c34)(N(C)C(C5([H])C#N)([H])Cc3c(c(c(OC)c4=O)C)=O)[H])[H])c(c(c(OC)1)C)=O)[H] |
| InChI Key | JNEGMBHBUAJRSX-KRPZRDOVSA-N |
| Molecular Formula | C29H30N4O8 |
| Exact Mass | 562.206 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 682d2269-e465-4ef4-8557-5cd91cf3a34f |
| Package id | msbnk-fac_eng_univ_tokyo-jp000146 |
| Resource type | HTML |
| State | active |