Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8...
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS120702
Dataset description:
This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS120702 contains the MS2 mass spectrum of Epicatechin-(4.beta.--8)epicatechin-(4.beta.--8)epicatechin, Proanthocyanidin C1,...
Chemical Info
| InChI | InChI=1S/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)41(62-44(19)34)15-1-4-20(47)24(51)7-15/h1-11,13-14,31,37-43,46-60H,12H2 |
|---|---|
| SMILES | C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O |
| InChI Key | MOJZMWJRUKIQGL-UHFFFAOYSA-N |
| Molecular Formula | C45H38O18 |
| Exact Mass | 866.781 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 4.0 International (CC BY-NC 4.0) |
| Id | ae9aa4b8-7353-4d79-b8c1-66b9d2246efe |
| Package id | msbnk-riken_respect-ps120702 |
| Resource type | HTML |
| State | active |