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Concept information

organooxygen compound > tolypocladin k

Preferred term

tolypocladin k  

Type

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

charge

  • 0

formula

  • C32H43NO5

inchi

  • InChI=1S/C32H43NO5/c1-17(2)7-8-18-9-10-20-21-16-19-11-14-31(36)29(5,30(19,6)25(21)33-22(20)15-18)13-12-23-32(31)27(38-32)24(34)26(37-23)28(3,4)35/h7,9-10,15,19,23-24,26-27,33-36H,8,11-14,16H2,1-6H3/t19-,23-,24+,26-,27+,29+,30+,31-,32-/m0/s1

inchikey

  • MDFJPAQEPZLTCB-JSVBYLJXSA-N

mass

  • 521.698

monoisotopicmass

  • 521.31412

smiles

  • O1[C@H](C(O)(C)C)[C@@H](O)[C@@H]2[C@]3([C@@H]1CC[C@]4([C@@]3(O)CC[C@@H]5[C@@]4(C=6NC=7C=C(CC=C(C)C)C=CC7C6C5)C)C)O2

subset

  • 2_STAR

synonym EXACT

  • (1S,2R,5S,7S,8R,9R,11S,12S,15S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-21-(3-methylbut-2-enyl)-6,10-dioxa-24-azaheptacyclo[13.10.0.02,12.05,11.09,11.017,25.018,23]pentacosa-17(25),18(23),19,21-tetraene-8,12-diol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207398

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