Demethoxycentaureidin 7-O-rutinoside
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML01644
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML01644 contains the MS2 mass spectrum of Demethoxycentaureidin 7-O-rutinoside with the InChIkey PYPKJBUJNZMSTH-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C29H34O16/c1-10-20(32)23(35)25(37)28(42-10)41-9-18-21(33)24(36)26(38)29(45-18)44-17-8-16-19(22(34)27(17)40-3)13(31)7-14(43-16)11-4-5-12(30)15(6-11)39-2/h4-8,10,18,20-21,23-26,28-30,32-38H,9H2,1-3H3 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)OC)O)OC)O)O)O)O)O)O |
| InChI Key | PYPKJBUJNZMSTH-UHFFFAOYSA-N |
| Molecular Formula | C29H34O16 |
| Exact Mass | 638.185 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 | f9861e2d-eca2-4ec6-9afe-1252ee4b4f0e |
| Package id | msbnk-washington_state_univ-bml01644 |
| Resource type | HTML |
| State | active |