Procyanidin B1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003943
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003943 contains the MS2 mass spectrum of Procyanidin B1 with the InChIkey XFZJEEAOWLFHDH-UKWJTHFESA-N.
Source: Procyanidin B1
Chemical Info
| InChI | InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27+,28+,29+/m0/s1 |
|---|---|
| SMILES | C1[C@@H]([C@H](OC2=C1C(=CC(=C2[C@@H]3[C@H]([C@H](OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O |
| InChI Key | XFZJEEAOWLFHDH-UKWJTHFESA-N |
| Molecular Formula | C30H26O12 |
| Exact Mass | 578.142 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 27e304ce-4bf5-4283-a49a-6929d4614a15 |
| Package id | msbnk-bs-bs003943 |
| Resource type | HTML |
| State | active |