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

Concept information

Preferred term

milbemycin beta9  

Type

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

Broader concept

charge

  • 0

formula

  • C32H48O8

inchi

  • InChI=1S/C32H48O8/c1-19-8-7-9-24(18-33)32(36)27(15-22(4)28(37-6)29(32)34)30(35)38-26-16-25(11-10-20(2)14-19)40-31(17-26)13-12-21(3)23(5)39-31/h7-10,15,19,21,23,25-29,33-34,36H,11-14,16-18H2,1-6H3/b8-7+,20-10+,24-9+/t19-,21-,23+,25+,26-,27-,28+,29+,31-,32+/m0/s1

inchikey

  • HUGLSMLBRBBTGU-RFEBHRRASA-N

mass

  • 560.728

monoisotopicmass

  • 560.33492

smiles

  • O=C1O[C@@H]2C[C@]3(O[C@@H](C2)CC=C(C[C@H](C=CC=C([C@]4([C@H]1C=C([C@@H](OC)[C@H]4O)C)O)CO)C)C)O[C@@H]([C@@H](C)CC3)C

subset

  • 2_STAR

synonym EXACT

  • (1S,4R,5'S,6'R,7R,8R,9S,10E,12E,14R,16E,19R,21R)-8,9-dihydroxy-10-(hydroxymethyl)-7-methoxy-5',6,6',14,16-pentamethylspiro[2,20-dioxatricyclo[17.3.1.04,9]tricosa-5,10,12,16-tetraene-21,2'-oxane]-3-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197789

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