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Concept information

Preferred term

clonostachysin b  

Type

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

charge

  • 0

formula

  • C54H89N9O10

inchi

  • InChI=1S/C54H89N9O10/c1-19-34(7)45-53(71)57(12)37(10)49(67)56(11)31-44(64)58(13)43(29-33(5)6)52(70)63-27-21-22-40(63)50(68)59(14)41(30-38-23-25-39(73-18)26-24-38)47(65)55-36(9)48(66)61(16)46(35(8)20-2)54(72)60(15)42(28-32(3)4)51(69)62(45)17/h23-26,32-37,40-43,45-46H,19-22,27-31H2,1-18H3,(H,55,65)/t34-,35-,36-,37-,40-,41-,42-,43-,45-,46-/m0/s1

inchikey

  • JLHTWKAMOWZDGJ-YWGLPWFXSA-N

mass

  • 1024.359

monoisotopicmass

  • 1023.67324

smiles

  • O=C1N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(CC(=O)N(C)[C@H](C(N2[C@H](C(N([C@H](C(N[C@H](C(N([C@H]1[C@H](CC)C)C)=O)C)=O)CC3=CC=C(OC)C=C3)C)=O)CCC2)=O)CC(C)C)C)C)C)[C@H](CC)C)C)CC(C)C)C

subset

  • 2_STAR

synonym EXACT

  • (3S,9S,12S,15S,18S,21S,24S,27S)-12,18-bis[(2S)-butan-2-yl]-24-[(4-methoxyphenyl)methyl]-4,7,9,10,13,16,19,21,25-nonamethyl-3,15-bis(2-methylpropyl)-1,4,7,10,13,16,19,22,25-nonazabicyclo[25.3.0]triacontane-2,5,8,11,14,17,20,23,26-nonone

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:224089

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