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Concept information

Preferred term

12beta-hydroxy-13alpha-butoxyethoxyverruculogen tr-2  

Type

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

Broader concept

charge

  • 0

formula

  • C28H39N3O7

inchi

  • InChI=1S/C28H39N3O7/c1-5-6-12-37-13-14-38-24-22-18-10-9-17(36-4)15-19(18)29-23(22)21(16-27(2,3)34)31-25(32)20-8-7-11-30(20)26(33)28(24,31)35/h9-10,15,20-21,24,29,34-35H,5-8,11-14,16H2,1-4H3/t20-,21-,24-,28-/m0/s1

inchikey

  • ZBXZIGNWODTNTI-FMAFCICHSA-N

mass

  • 529.634

monoisotopicmass

  • 529.27880

smiles

  • O=C1N2[C@H](C(=O)N3[C@]1(O)[C@@H](OCCOCCCC)C=4C5=C(C=C(OC)C=C5)NC4[C@@H]3CC(O)(C)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,12S,15S)-2-(2-butoxyethoxy)-1-hydroxy-12-(2-hydroxy-2-methylpropyl)-7-methoxy-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:210725

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