Isomarticin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000163
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000163 contains the MS2 mass spectrum of Isomarticin with the InChIkey HNMWDXUKPJZOQD-XPBDJYBLSA-N.
Source: Isomarticin
Chemical Info
| InChI | InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)/t8?,10-,18?/m1/s1 |
|---|---|
| SMILES | CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)C[C@@H](O2)C(=O)O)O)O |
| InChI Key | HNMWDXUKPJZOQD-XPBDJYBLSA-N |
| Molecular Formula | C18H16O9 |
| Exact Mass | 376.079 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 | 8875e4f1-7da5-43d0-a5d6-213d51a88b4e |
| Package id | msbnk-aafc-ac000163 |
| Resource type | HTML |
| State | active |