Stachybocin B
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000614
Dataset description:
This MassBank record with Accession MSBNK-AAFC-AC000614 contains the MS2 mass spectrum of Stachybocin B with the InChIkey ZRTGPZGAMCJZNA-CRDDFVEESA-N.
Source: Stachybocin B
Chemical Info
| InChI | InChI=1S/C52H70N2O11/c1-26-12-14-38-47(3,4)40(58)16-17-49(38,7)51(26)21-30-35(55)19-28-32(41(30)64-51)24-53(44(28)60)18-10-9-11-34(46(62)63)54-25-33-29(45(54)61)20-36(56)31-22-52(65-42(31)33)27(2)13-15-39-48(5,6)43(59)37(57)23-50(39,52)8/h19-20,26-27,34,37-40,43,55-59H,9-18,21-25H2,1-8H3,(H,62,63)/t26-,27-,34+,37-,38?,39?,40-,43-,49+,50+,51-,52-/m1/s1 |
|---|---|
| SMILES | C[C@@H]1CCC2[C@@]([C@@]13CC4=C(C=C5C(=C4O3)CN(C5=O)CCCC[C@@H](C(=O)O)N6CC7=C8C(=C(C=C7C6=O)O)C[C@@]9(O8)[C@@H](CCC1[C@@]9(C[C@H]([C@H](C1(C)C)O)O)C)C)O)(CC[C@H](C2(C)C)O)C |
| InChI Key | ZRTGPZGAMCJZNA-CRDDFVEESA-N |
| Molecular Formula | C52H70N2O11 |
| Exact Mass | 898.498 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 | 0e865df2-11af-401f-87fa-44653180c984 |
| Package id | msbnk-aafc-ac000614 |
| Resource type | HTML |
| State | active |