Dataset
Voacristine
Chemical Info
InChI | InChI=1S/C22H28N2O4/c1-12(25)16-8-13-10-22(21(26)28-3)19-15(6-7-24(11-13)20(16)22)17-9-14(27-2)4-5-18(17)23-19/h4-5,9,12-13,16,20,23,25H,6-8,10-11H2,1-3H3/t12-,13+,16+,20-,22+/m0/s1 |
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SMILES | COC(=O)[C@@]12C[C@H]3C[C@H]([C@H](C)O)[C@@H]1N(C3)CCC1=C2NC2=C1C=C(OC)C=C2 |
InChI Key | OYMQKBZMKFJPMH-VJMPXSKLSA-N |
Molecular Formula | C22H28N2O4 |
Exact Mass | 384.476 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR300029 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T20:40:39.256765 |
MetadataModified | 2024-01-11T20:40:39.439030 |
MetadataPublished | 2019-03-28 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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J16.155A | Nikkaji |
196982 | PubChem |
ZINC000005763288 | ZINC |
PD080432 | ProbesDrugs |
The data in this table is sourced from UniChem at EBI. |