Daphnoretin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00160
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00160 contains the MS2 mass spectrum of Daphnoretin with the InChIkey JRHMMVBOTXEHGJ-UHFFFAOYSA-N.
Source: Daphnoretin
Chemical Info
InChI | InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3 |
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SMILES | COC1=C(C=C2C(=C1)C=C(C(=O)O2)OC3=CC4=C(C=C3)C=CC(=O)O4)O |
InChI Key | JRHMMVBOTXEHGJ-UHFFFAOYSA-N |
Molecular Formula | C19H12O7 |
Exact Mass | 352.058 g/mol |
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Additional Information
Field | Value |
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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 | 2ef64578-6b71-484c-8872-6c954460c204 |
Package id | msbnk-washington_state_univ-bml00160 |
Resource type | HTML |
State | active |