Enterodiol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307901
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR307901 contains the MS2 mass spectrum of Enterodiol with the InChIkey DWONJCNDULPHLV-UHFFFAOYSA-N.
Source: Enterodiol
Chemical Info
| InChI | InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2 |
|---|---|
| SMILES | OCC(CC1=CC(O)=CC=C1)C(CO)CC1=CC(O)=CC=C1 |
| InChI Key | DWONJCNDULPHLV-UHFFFAOYSA-N |
| Molecular Formula | C18H22O4 |
| Exact Mass | 302.370 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 | abf8185a-aacc-49db-94ad-13a33a447f76 |
| Package id | msbnk-riken-pr307901 |
| Resource type | HTML |
| State | active |