Dataset
Pimaric acid
Chemical Info
InChI | InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,13,15-16H,1,6-12H2,2-4H3,(H,21,22) |
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SMILES | CC1(CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)C=C |
InChI Key | MHVJRKBZMUDEEV-UHFFFAOYSA-N |
Molecular Formula | C20H30O2 |
Exact Mass | 302.225 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-Washington_State_Univ-BML81961 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T22:25:43.654597 |
MetadataModified | 2024-01-11T22:25:43.823144 |
MetadataPublished | 2016-01-19 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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10116 | PubChem |
30083748 | eMolecules |
PD094778 | ProbesDrugs |
60061132 | NMRShiftDB |
SCHEMBL10819486 | SureChEMBL |
16889679 | PubChem: Thomson Pharma |
MCULE-4428892848 | Mcule |
The data in this table is sourced from UniChem at EBI. |