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Concept information

Preferred term

الانسولید دی  

Type

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

charge

  • 0

formula

  • C37H48O6

inchi

  • InChI=1S/C37H48O6/c1-23(14-20-31(40)41)13-19-29(39)24(2)11-9-7-8-10-12-30-32-25(3)21-28-34(36(4,5)22-37(28,6)42)33(32)35(43-30)26-15-17-27(38)18-16-26/h7-18,20-21,24,28-30,32-35,38-39,42H,19,22H2,1-6H3,(H,40,41)/b8-7+,11-9+,12-10+,20-14+,23-13+/t24?,28-,29?,30-,32-,33+,34+,35+,37-/m0/s1

inchikey

  • KLAAFVRADBEPLZ-GZDPRECWSA-N

mass

  • 588.785

monoisotopicmass

  • 588.34509

smiles

  • O=C(O)/C=C/C(=C/CC(O)C(/C=C/C=C/C=C/[C@@H]1O[C@H](C2=CC=C(O)C=C2)[C@@H]3[C@H]1C(=C[C@@H]4[C@](O)(C)CC([C@@H]34)(C)C)C)C)/C

subset

  • 2_STAR

synonym EXACT

  • (2E,4E,9E,11E,13E)-14-[(1S,3S,3aS,5aS,6S,8aS,8bS)-6-hydroxy-1-(4-hydroxyphenyl)-4,6,8,8-tetramethyl-3,3a,5a,7,8a,8b-hexahydro-1H-cyclopenta[e][2]benzouran-3-yl]-7-hydroxy-4,8-dimethyltetradeca-2,4,9,11,13-pentaenoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219961

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