7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001100
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001100 contains the MS mass spectrum of 7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl Apigenin (NMR) with the InChIkey...
Source: 7-O-(2'-Feruloylglucuronyl)-(1-2)-glucuronyl Apigenin (NMR)
Chemical Info
| InChI | InChI=1S/C37H34O20/c1-51-22-10-14(2-8-18(22)39)3-9-24(42)54-32-28(45)26(43)31(35(49)50)56-37(32)57-33-29(46)27(44)30(34(47)48)55-36(33)52-17-11-19(40)25-20(41)13-21(53-23(25)12-17)15-4-6-16(38)7-5-15/h2-13,26-33,36-40,43-46H,1H3,(H,47,48)(H,49,50)/b9-3+/t26-,27-,28-,29-,30-,31-,32+,33+,36+,37-/m0/s1 |
|---|---|
| SMILES | O=C1C2=C(OC(=C1)C3=CC=C(C=C3)O)C=C(C=C2O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)OC(/C=C/C6=CC=C(C(OC)=C6)O)=O)O)O)C(O)=O |
| InChI Key | TVHAXOXLQDESPI-OJBICJBZSA-N |
| Molecular Formula | C37H34O20 |
| Exact Mass | 798.164 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | unknown |
| Metadata last updated | January 11, 2024 |
| Created | unknown |
| Format | HTML |
| License | Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Created | 6 months ago |
| Id | 45c926e3-fabb-4d2e-901b-0f31d03b28e1 |
| Package id | msbnk-bs-bs001100 |
| Resource type | HTML |
| State | active |