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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

lsm-5035  

Type

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

Broader concept

charge

  • 0

formula

  • C41H44N4O8

inchi

  • InChI=1S/C41H44N4O8/c1-9-23-20(2)29-17-34-27-13-10-26(39(49)52-7)38(40(50)53-8)41(27,5)35(45-34)19-30-22(4)25(12-15-37(48)51-6)33(44-30)18-32-24(11-14-36(46)47)21(3)28(43-32)16-31(23)42-29/h9-10,13,17-19,38,42-43,45H,1,11-12,14-16H2,2-8H3,(H,46,47)/t38?,41-/m1/s1

inchikey

  • CCHAFFIHHPEEAJ-MIJGTKDRSA-N

mass

  • 720.812

monoisotopicmass

  • 720.31591

smiles

  • CC1=C2CC3=C(C(=C(N3)C=C4C5=CC=C(C([C@]5(C(=CC6=NC(=CC(=C1CCC(=O)O)N2)C(=C6C)CCC(=O)OC)N4)C)C(=O)OC)C(=O)OC)C)C=C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:94368

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