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Concept information

Preferred term

ورتیسپورین  

Type

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

Broader concept

charge

  • 0

formula

  • C29H36O10

inchi

  • InChI=1S/C29H36O10/c1-16-6-9-27-14-34-22(31)12-17-7-10-35-28(23(32)25(33)39-24(17)28)8-4-3-5-21(30)38-18-13-20(37-19(27)11-16)29(15-36-29)26(18,27)2/h3,5,11-12,16,18,20,23-25,32-33H,4,6-10,13-15H2,1-2H3/b5-3+,17-12-/t16-,18+,20+,23-,24-,25+,26+,27-,28-,29-/m1/s1

inchikey

  • LERCQWPSQAJZLO-VYVIGVDVSA-N

mass

  • 544.597

monoisotopicmass

  • 544.23085

smiles

  • O=C1OC[C@]23C(O[C@@H]4[C@]5([C@]2([C@@H](OC(=O)C=CCC[C@@]67[C@@H](C(=C1)CCO6)O[C@H](O)[C@H]7O)C4)C)OC5)=C[C@H](C)CC3

subset

  • 2_STAR

synonym EXACT

  • (1R,4E,8S,9R,10R,11S,15R,18R,22Z,24R,26S,27S)-26,27-dihydroxy-9,15-dimethylspiro[7,12,20,25,28-pentaoxahexacyclo[21.4.3.18,11.01,24.09,18.013,18]hentriaconta-4,13,22-triene-10,2'-oxirane]-6,21-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:223962

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