Chaetoglobosin A
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000087
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000087 contains the MS2 mass spectrum of Chaetoglobosin A with the InChIkey OUMWCYMRLMEZJH-VOXRAUTJSA-N.
Source: Chaetoglobosin A
Chemical Info
| InChI | InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1 |
|---|---|
| SMILES | C[C@H]\1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C |
| InChI Key | OUMWCYMRLMEZJH-VOXRAUTJSA-N |
| Molecular Formula | C32H36N2O5 |
| Exact Mass | 528.262 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 | 4ccaf58d-7e8b-4832-b8a7-93605f5813b5 |
| Package id | msbnk-aafc-ac000087 |
| Resource type | HTML |
| State | active |