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monocrotaline oxide

chemical compound
ChemicalSubstance group_of_stereoisomers Q27896174
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monocrotaline oxide

Summary

monocrotaline oxide is a group of stereoisomers[1].

Key Facts

  • monocrotaline oxide's instance of is recorded as group of stereoisomers[2].
  • monocrotaline oxide's CAS Registry Number is recorded as 35337-98-5[3].
  • monocrotaline oxide's EC number is recorded as 636-880-3[4].
  • monocrotaline oxide's canonical SMILES is recorded as CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-][5].
  • monocrotaline oxide's InChI is recorded as InChI=1S/C16H23NO7/c1-9-13(18)24-11-5-7-17(22)6-4-10(12(11)17)8-23-14(19)16(3,21)15(9,2)20/h4,9,11-12,20-21H,5-8H2,1-3H3/t9-,11+,12+,15+,16-,17?/m0/s1[6].
  • monocrotaline oxide's InChIKey is recorded as LHVAZUAALQTANZ-ANYXPJNNSA-N[7].
  • monocrotaline oxide's chemical formula is recorded as C₁₆H₂₃NO₇[8].
  • monocrotaline oxide's subclass of is recorded as chemical compound[9].
  • monocrotaline oxide's ChEMBL ID is recorded as CHEMBL469442[10].
  • monocrotaline oxide's UNII is recorded as 2LCP0RBK6G[11].
  • monocrotaline oxide's ChemSpider ID is recorded as 10202244[12].
  • monocrotaline oxide's PubChem CID is recorded as 21586627[13].
  • monocrotaline oxide's isomeric SMILES is recorded as C[C@H]1C(=O)O[C@@H]2CC[N+]3([C@@H]2C(=CC3)COC(=O)C@(C)O)[O-]C@(C)O)[O-]">[14].
  • monocrotaline oxide's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+341.147452076'}[15].
  • monocrotaline oxide's ECHA Substance Infocard ID is recorded as 100.164.637[16].
  • monocrotaline oxide's DSSTox substance ID is recorded as DTXSID70956767[17].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000421[18].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000422[19].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000423[20].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000424[21].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000425[22].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000471[23].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000472[24].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000473[25].
  • monocrotaline oxide's MassBank accession ID is recorded as MSBNK-NaToxAq-NA000474[26].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  3. [4] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . wikidata.org.
  9. [10] ↑ . ChEMBL. Retrieved . wikidata.org.
  10. [11] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  11. [12] ↑ . Q2311683. Retrieved . wikidata.org.
  12. [13] ↑ . PubChem. Retrieved . wikidata.org.
  13. [14] ↑ . PubChem. Retrieved . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  16. [17] ↑ . wikidata.org.
  17. [18] ↑ . wikidata.org.
  18. [19] ↑ . wikidata.org.
  19. [20] ↑ . wikidata.org.
  20. [21] ↑ . wikidata.org.
  21. [22] ↑ . wikidata.org.
  22. [23] ↑ . wikidata.org.
  23. [24] ↑ . wikidata.org.
  24. [25] ↑ . wikidata.org.
  25. [26] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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BibTeX @misc{4ortxyz_monocrotaline-oxide_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{monocrotaline oxide}}, year = {2026}, url = {https://4ort.xyz/entity/monocrotaline-oxide}, note = {Accessed: 2026-05-03}}
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