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Concept information

organooxygen compound > retrocalamin

Preferred term

retrocalamin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C24H30O9

inchi

  • InChI=1S/C24H30O9/c1-21(15(26)9-16(27)30-4)10-13(25)17(28)23(3)14(21)5-7-22(2)18(12-6-8-31-11-12)32-20(29)19-24(22,23)33-19/h6,8,11,14-15,17-19,26,28H,5,7,9-10H2,1-4H3/t14-,15?,17?,18+,19-,21+,22+,23+,24-/m1/s1

inchikey

  • HMNKPIJMXBZMJF-ZLOQDTKLSA-N

mass

  • 462.495

monoisotopicmass

  • 462.18898

smiles

  • O1[C@@]23[C@]4([C@@]([C@](CC(=O)C4O)(C(O)CC(OC)=O)C)(CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=5C=COC5)C)[H])C

subset

  • 2_STAR

synonym EXACT

  • methyl 3-[(1R,2S,6S,7R,10S,11S,14S)-11-(uran-3-yl)-3-hydroxy-2,6,10-trimethyl-4,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]-3-hydroxypropanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190031

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