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Concept information

Preferred term

communesin i  

Type

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

Broader concept

charge

  • 0

formula

  • C32H40N4O3

inchi

  • InChI=1S/C32H40N4O3/c1-5-9-19(37)18-24(38)35-16-14-31-21-11-6-7-12-22(21)33-28-32(31)15-17-36(29(31)35)26(27-30(2,3)39-27)20-10-8-13-23(25(20)32)34(28)4/h6-8,10-13,19,26-29,33,37H,5,9,14-18H2,1-4H3/t19-,26-,27+,28+,29+,31-,32-/m0/s1

inchikey

  • MDCQGUSSMLOSLN-RQIFQPJOSA-N

mass

  • 528.697

monoisotopicmass

  • 528.31004

smiles

  • O=C(N1[C@@H]2N3[C@@H](C=4C=CC=C5C4[C@@]6([C@]2(C7=C(N[C@@H]6N5C)C=CC=C7)CC1)CC3)[C@H]8OC8(C)C)C[C@@H](O)CCC

subset

  • 2_STAR

synonym EXACT

  • (3S)-1-[(2S,6R,14R,22R,25S)-25-[(2R)-3,3-dimethyloxiran-2-yl]-15-methyl-1,3,13,15-tetrazaheptacyclo[18.4.1.02,6.06,22.07,12.014,22.016,21]pentacosa-7,9,11,16,18,20-hexaen-3-yl]-3-hydroxyhexan-1-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:199003

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