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Concept information

Preferred term

reedsmycin b  

Type

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

charge

  • 0

formula

  • C36H58O10

inchi

  • InChI=1S/C36H58O10/c1-4-25(2)36-26(3)16-17-28(38)19-30(40)21-32(42)23-34(44)24-33(43)22-31(41)20-29(39)18-27(37)14-12-10-8-6-5-7-9-11-13-15-35(45)46-36/h5-13,15-17,25-34,36-44H,4,14,18-24H2,1-3H3/b7-5-,8-6+,11-9+,12-10+,15-13+,17-16+

inchikey

  • XVBIZWCWDZDOMC-UEPNLKFNSA-N

mass

  • 650.850

monoisotopicmass

  • 650.40300

smiles

  • CCC(C)C1OC(=O)/C=C/C=C/C=C/C=C/C=C/CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)CC(O)/C=C/C1C

subset

  • 3_STAR

synonym EXACT

  • (3E,5E,7Z,9E,11E,29E)-32-(butan-2-yl)-14,16,18,20,22,24,26,28-octahydroxy-31-methyloxacyclodotriaconta-3,5,7,9,11,29-hexaen-2-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219367

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