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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > spirotryprostatin m
organooxygen compound > spirotryprostatin m

Preferred term

spirotryprostatin m  

Type

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

Broader concept

charge

  • 0

formula

  • C27H35N3O7

has_functional_parent

inchi

  • InChI=1S/C27H35N3O7/c1-15(2)10-12-37-23-26(21(31)17-9-8-16(36-5)13-18(17)28-26)20(14-25(3,4)34)30-22(32)19-7-6-11-29(19)24(33)27(23,30)35/h8-10,13,19-20,23,28,34-35H,6-7,11-12,14H2,1-5H3/t19-,20-,23-,26+,27+/m0/s1

inchikey

  • LUFNRQGQLDZSAO-CVXVVRTLSA-N

mass

  • 513.591

monoisotopicmass

  • 513.24750

smiles

  • O=C1N2[C@H](C(=O)N3[C@@]1(O)[C@@H](OCC=C(C)C)[C@@]4(NC=5C=C(OC)C=CC5C4=O)[C@@H]3CC(O)(C)C)CCC2

subset

  • 2_STAR

synonym EXACT

  • (3R,4S,5S,6S,9S)-3-hydroxy-6-(2-hydroxy-2-methylpropyl)-6'-methoxy-4-(3-methylbut-2-enoxy)spiro[1,7-diazatricyclo[7.3.0.03,7]dodecane-5,2'-1H-indole]-2,3',8-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215475

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