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Concept information

Preferred term

بیسورتینوکینول  

Type

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

charge

  • 0

formula

  • C28H34O8

inchi

  • InChI=1S/C28H34O8/c1-7-9-11-13-16(29)18-19-20-27(6,36)21(31)15(3)22(32)28(20,17(30)14-12-10-8-2)25(4,23(18)33)24(34)26(19,5)35/h7-11,13,19-20,29,31,35-36H,12,14H2,1-6H3/b9-7+,10-8+,13-11+,18-16-/t19-,20-,25-,26+,27+,28+/m1/s1

inchikey

  • ZXWVVZIMJSPORF-FTTFQXIBSA-N

mass

  • 498.572

monoisotopicmass

  • 498.22537

smiles

  • O=C1C(=C(O)[C@](O)(C)[C@@H]2[C@]1(C(=O)CC/C=C/C)[C@@]3(C(=O)/C(=C(/O)/C=C/C=C/C)/[C@H]2[C@@](C3=O)(O)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (1R,2R,6S,7S,8S,9S,12Z)-2-[(E)-hex-4-enoyl]-5,6,9-trihydroxy-12-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,4,6,9-tetramethyltricyclo[6.2.2.02,7]dodec-4-ene-3,10,11-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:221007

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