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Concept information

Preferred term

klymollin d  

Type

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

charge

  • 0

formula

  • C24H36O7

inchi

  • InChI=1S/C24H36O7/c1-12(2)16-10-19(29-14(4)25)24(11-28-24)21-18-9-13(3)17(27)7-8-23(6,31-15(5)26)22(30-18)20(16)21/h12,16-22,27H,3,7-11H2,1-2,4-6H3/t16-,17+,18-,19+,20-,21-,22-,23-,24+/m1/s1

inchikey

  • MRLKNBMAHKIZKS-PWLVGILOSA-N

mass

  • 436.53840

monoisotopicmass

  • 436.24610

smiles

  • CC(C)[C@H]1C[C@H](OC(C)=O)[C@@]2(CO2)[C@@H]2[C@H]3CC(=C)[C@@H](O)CC[C@@](C)(OC(C)=O)[C@H](O3)[C@H]12

subset

  • 3_STAR

synonym EXACT

  • rel-(1S,2S,4R,4aR,5R,6R,9S,12R,12aS)-9-hydroxy-6-methyl-10-methylidene-4-(propan-2-yl)dodecahydro-2H-spiro[5,12-epoxybenzo[10]annulene-1,2'-oxirane]-2,6-diyl diacetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68954

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