Dataset
Rubterolone A (HJ555).inadequate
Chemical Info
InChI | InChI=1S/C21H19NO8/c1-6-4-9-12(7(2)22-6)16(25)10-5-11(23)14-18(17(26)13(9)10)30-20-21(14,28)19(27)15(24)8(3)29-20/h4-5,8,15,19-20,22,24,27-28H,1-3H3 |
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SMILES | CC1=CC2=C3C(=O)C4=C(C(=O)C=C3C(=O)C2=C(C)N1)C1(O)C(O4)OC(C)C(O)C1O |
InChI Key | WHKAHOPJQDTUOK-UHFFFAOYSA-N |
Molecular Formula | C21H19NO8 |
Exact Mass | 413.400 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p6.s44.d130 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D130 |
Version | |
Author | Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:46:10.108811 |
MetadataModified | 2024-09-23T09:35:38.233661 |
MetadataPublished | 2022-10-28 10:01:50 |
Field | Value |
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Measurement Technique | inadequate |
Measurement Variables |
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Data-Source Molecule ID | Data-Source |
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No additional information available for this Dataset. |