Dataset
Actinospirol A (6BHJ758).hmbc
Chemical Info
InChI | InChI=1S/C17H9ClO7/c1-6-5-8(19)11-12(13(6)18)17(25-16(11)23)14(20)10-7(15(21)22)3-2-4-9(10)24-17/h2-5,19H,1H3,(H,21,22) |
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SMILES | CC1=CC(O)=C2C(=O)OC3(OC4=CC=CC(C(=O)O)=C4C3=O)C2=C1Cl |
InChI Key | XBSPICXSAXOFOV-UHFFFAOYSA-N |
Molecular Formula | C17H9ClO7 |
Exact Mass | 360.700 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.57992/nmrxiv.p6.s45.d133 |
License URL | https://creativecommons.org/licenses/by/4.0/legalcode |
Source | https://nmrxiv.org/D133 |
Version | |
Author | Rischer M, Raguž L, Guo H, Keiff F, Diekert G, Goris T, Beemelmanns C. |
Maintainer | |
Language | english |
MetadataCreated | 2024-04-22T16:45:18.045457 |
MetadataModified | 2024-09-23T09:35:31.091255 |
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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163175481 | PubChem |
The data in this table is sourced from UniChem at EBI. |