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Concept information

Preferred term

fijiolide b  

Type

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

Broader concept

charge

  • 0

formula

  • C32H36Cl2N2O9

inchi

  • InChI=1S/C32H36Cl2N2O9/c1-31(2)28(36(3)4)25(40)26(41)30(44-31)45-32-9-5-6-17(32)23-16-8-7-15(24(23)34)21(38)13-42-22(39)12-19(35)14-10-18(33)27(20(37)11-14)43-29(16)32/h5-11,19,21,25-26,28-30,37-38,40-41H,12-13,35H2,1-4H3/t19-,21-,25-,26+,28-,29+,30-,32+/m0/s1

inchikey

  • SGICAIWTPRUYBA-XHXKVFPOSA-N

mass

  • 663.550

monoisotopicmass

  • 662.17979

smiles

  • ClC1=C2C=CC3=C1C4=CC=C[C@]4(O[C@@H]5OC([C@@H](N(C)C)[C@H]([C@H]5O)O)(C)C)[C@@H]3OC6=C(Cl)C=C([C@H](CC(OC[C@@H]2O)=O)N)C=C6O

subset

  • 2_STAR

synonym EXACT

  • (3R,4R,14R,19S)-19-amino-22,25-dichloro-4-[(2S,3R,4R,5S)-5-(dimethylamino)-3,4-dihydroxy-6,6-dimethyloxan-2-yl]oxy-14,23-dihydroxy-2,16-dioxapentacyclo[18.2.2.19,13.03,10.04,8]pentacosa-1(23),5,7,9,11,13(25),20(24),21-octaen-17-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:227237

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