Gibberellin A3
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000213
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA000213 contains the MS2 mass spectrum of Gibberellin A3 with the InChIkey IXORZMNAPKEEDV-OBDJNFEBSA-N.
Source: Gibberellin A3
Chemical Info
| InChI | InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1 |
|---|---|
| SMILES | OC(=O)[C@H]([C@@]321)[C@]([H])([C@@](C)54)[C@](C=C[C@H](O)5)(OC(=O)4)[C@]([H])(CC[C@@](O)(C(=C)C3)C2)1 |
| InChI Key | IXORZMNAPKEEDV-OBDJNFEBSA-N |
| Molecular Formula | C19H22O6 |
| Exact Mass | 346.142 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 4.0 International (CC BY-NC 4.0) |
| Id | cbf88d21-c927-4130-800b-a7f2ba3b6531 |
| Package id | msbnk-waters-wa000213 |
| Resource type | HTML |
| State | active |