Subsessiline
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300380
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR300380 contains the MS2 mass spectrum of Subsessiline with the InChIkey RZBFPDQKWUWUCK-UHFFFAOYSA-N.
Source: Subsessiline
Chemical Info
| InChI | InChI=1S/C43H48N4O6/c1-49-29-9-5-7-27-31(29)47-23-40-21-24-20-38-13-18-51-30(38)10-15-45-16-12-42(27,35(38)45)43(24,47)53-37(40)46-17-11-41-26-6-3-4-8-28(26)44-32(41)25(33(48)50-2)22-39(34(41)46)14-19-52-36(39)40/h3-9,24,30,34-37,44H,10-23H2,1-2H3 |
|---|---|
| SMILES | COC(=O)C1=C2NC3=CC=CC=C3C22CCN3C2C2(CCOC2C24CC5CC67CCOC6CCN6CCC8(C76)C6=C(N(C2)C58OC34)C(OC)=CC=C6)C1 |
| InChI Key | RZBFPDQKWUWUCK-UHFFFAOYSA-N |
| Molecular Formula | C43H48N4O6 |
| Exact Mass | 716.879 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 | 62e03f85-fc5f-49f4-a85c-30f35ad688bd |
| Package id | msbnk-riken-pr300380 |
| Resource type | HTML |
| State | active |