Dataset
Isomarticin
Chemical Info
InChI | InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)/t8?,10-,18?/m1/s1 |
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SMILES | CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)C[C@@H](O2)C(=O)O)O)O |
InChI Key | HNMWDXUKPJZOQD-XPBDJYBLSA-N |
Molecular Formula | C18H16O9 |
Exact Mass | 376.079 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-AAFC-AC000162 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T09:22:39.567702 |
MetadataModified | 2024-01-11T09:22:39.715144 |
MetadataPublished | 2017-07-07 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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3084308 | PubChem |
DTXSID20891811 | EPA CompTox Dashboard |
19196-46-4 | ACToR |
The data in this table is sourced from UniChem at EBI. |