Procyanidin C1
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR306732
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR306732 contains the MS2 mass spectrum of Procyanidin C1 with the InChIkey MOJZMWJRUKIQGL-UHFFFAOYSA-N.
Source: Procyanidin 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 | OC1CC2=C(OC1C1=CC(O)=C(O)C=C1)C(C1C(O)C(OC3=C(C4C(O)C(OC5=CC(O)=CC(O)=C45)C4=CC(O)=C(O)C=C4)C(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O |
| 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | d0772ca8-c269-4e96-b7a7-caaceddf836e |
| Package id | msbnk-riken-pr306732 |
| Resource type | HTML |
| State | active |