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Concept information

Preferred term

گانودریک اسید AP2  

Type

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

Broader concept

charge

  • 0

formula

  • C34H50O8

inchi

  • InChI=1S/C34H50O8/c1-18(11-10-12-19(2)30(39)40)23-17-26(41-20(3)35)33(8)22-13-14-24-31(5,6)25(37)15-16-32(24,7)27(22)28(38)29(34(23,33)9)42-21(4)36/h12,18,23-26,29,37H,10-11,13-17H2,1-9H3,(H,39,40)/b19-12+/t18-,23-,24+,25+,26+,29-,32+,33-,34+/m1/s1

inchikey

  • QLPXRZYNNFETED-TZTJHZGXSA-N

mass

  • 586.766

monoisotopicmass

  • 586.35057

smiles

  • O=C1C2=C([C@@]3([C@@H](OC(=O)C)C[C@@H]([C@]3([C@@H]1OC(=O)C)C)[C@@H](CC/C=C(/C(=O)O)/C)C)C)CC[C@@H]4[C@@]2(CC[C@@H](C4(C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (E,6R)-6-[(3S,5R,10S,12S,13R,14S,15S,17R)-12,15-diacetyloxy-3-hydroxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222680

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