Puerarin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003335
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003335 contains the MS mass spectrum of Puerarin with the InChIkey HKEAFJYKMMKDOR-VPRICQMDSA-N.
Source: Puerarin
Chemical Info
InChI | InChI=1S/C21H20O9/c22-7-14-17(26)18(27)19(28)21(30-14)15-13(24)6-5-11-16(25)12(8-29-20(11)15)9-1-3-10(23)4-2-9/h1-6,8,14,17-19,21-24,26-28H,7H2/t14-,17-,18+,19-,21+/m1/s1 |
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SMILES | C1(=C(C(=C(C(=C1C2=C(OC3=C(C2=O)C(=C(C(=C3[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@]([H])(O4)C(O[H])([H])[H])O[H])O[H])O[H])O[H])[H])[H])[H])[H])[H])O[H])[H])[H] |
InChI Key | HKEAFJYKMMKDOR-VPRICQMDSA-N |
Molecular Formula | C21H20O9 |
Exact Mass | 416.111 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
Id | 4a8eac3e-80be-4a76-bab9-119f12b74483 |
Package id | msbnk-bs-bs003335 |
Resource type | HTML |
State | active |