Dataset
Pseudoxylallemycin B (5XHJ290).hmbc
Chemical Info
InChI | InChI=1S/C40H52N4O6/c1-9-11-21-49-31-17-13-29(14-18-31)25-33-39(47)43(7)36(24-28(5)6)38(46)42-34(26-30-15-19-32(20-16-30)50-22-12-10-2)40(48)44(8)35(23-27(3)4)37(45)41-33/h11-20,27-28,33-36H,1-2,21-26H2,3-8H3,(H,41,45)(H,42,46) |
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SMILES | C=C=CCOC1=CC=C(CC2NC(=O)C(CC(C)C)N(C)C(=O)C(CC3=CC=C(OCC=C=C)C=C3)NC(=O)C(CC(C)C)N(C)C2=O)C=C1 |
InChI Key | QWMKZQLCKVCIIN-UHFFFAOYSA-N |
Molecular Formula | C40H52N4O6 |
Exact Mass | 684.900 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p6.s43.d120 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D120 |
Version | |
Author | Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:45:31.628089 |
MetadataModified | 2024-09-23T09:35:33.899238 |
MetadataPublished | 2022-10-28 10:01:50 |
Field | Value |
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Measurement Technique | heteronuclear multiple bond coherence |
Measurement Variables |
|
Data-Source Molecule ID | Data-Source |
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162998564 | PubChem |
163189520 | PubChem |
The data in this table is sourced from UniChem at EBI. |