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Concept information

Preferred term

کامپچیک اسید B  

Type

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

charge

  • 0

formula

  • C39H68O8

inchi

  • InChI=1S/C39H68O8/c1-24(19-28(5)34(42)23-35(43)29(6)20-25(2)18-26(3)21-30(7)37(44)45)12-11-13-27(4)33(41)22-32-14-16-39(10,46-32)36-15-17-38(9,47-36)31(8)40/h11,13,23-33,36,40-42H,12,14-22H2,1-10H3,(H,44,45)/t24-,25+,26+,27+,28-,29+,30+,31-,32?,33+,36?,38?,39?/m1/s1

inchikey

  • QYNFKUAGTMNTQY-QIGOITGSSA-N

mass

  • 664.965

monoisotopicmass

  • 664.49142

smiles

  • O=C(O)[C@H](C[C@H](C[C@@H](C[C@@H](C(=O)C=C(O)[C@@H](C[C@@H](CC=C[C@@H]([C@@H](O)CC1OC(C2OC([C@H](O)C)(C)CC2)(C)CC1)C)C)C)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • (2S,4S,6S,8S,12R,14R,18S,19S)-11,19-dihydroxy-20-[5-[5-[(1R)-1-hydroxyethyl]-5-methyloxolan-2-yl]-5-methyloxolan-2-yl]-2,4,6,8,12,14,18-heptamethyl-9-oxoicosa-10,16-dienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227135

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