Fiscalin C
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000835
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000835 contains the MS2 mass spectrum of Fiscalin C with the InChIkey VHQZIMAMLQIPDR-KLGADWMXSA-N.
Source: Fiscalin C
Chemical Info
| InChI | InChI=1S/C27H29N5O4/c1-14(2)20-21-28-17-11-7-5-9-15(17)23(34)31(21)19(22(33)29-20)13-27(36)16-10-6-8-12-18(16)32-24(27)30-26(3,4)25(32)35/h5-12,14,19-20,24,30,36H,13H2,1-4H3,(H,29,33)/t19-,20+,24-,27-/m1/s1 |
|---|---|
| SMILES | CC(C)[C@H]1C2=NC3=CC=CC=C3C(=O)N2[C@@H](C(=O)N1)C[C@@]4([C@@H]5NC(C(=O)N5C6=CC=CC=C64)(C)C)O |
| InChI Key | VHQZIMAMLQIPDR-KLGADWMXSA-N |
| Molecular Formula | C27H29N5O4 |
| Exact Mass | 487.222 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 | e35b79d1-0569-4171-8385-66e5ceb9c9ad |
| Package id | msbnk-aafc-ac000835 |
| Resource type | HTML |
| State | active |