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Concept information

Preferred term

arenimycin  

Type

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

Broader concept

charge

  • 0

formula

  • C33H33NO14

inchi

  • InChI=1S/C33H33NO14/c1-11-8-13-6-7-32(47-5)29(42)20-15(28(41)33(32,44)21(13)25(39)18(11)31(43)46-4)9-14-19(24(20)38)17(35)10-16(23(14)37)34-30-27(45-3)26(40)22(36)12(2)48-30/h8-10,12,22,26-27,30,34,36,38-40,44H,6-7H2,1-5H3/t12-,22-,26-,27+,30-,32-,33+/m0/s1

inchikey

  • VACDYOFFZQTSPN-HAKWYHDRSA-N

mass

  • 667.620

monoisotopicmass

  • 667.19010

smiles

  • O=C1C(N[C@H]2O[C@H]([C@H](O)[C@@H]([C@H]2OC)O)C)=CC(=O)C3=C1C=C4C(=O)[C@]5(O)C6=C(O)C(=C(C)C=C6CC[C@@]5(C(C4=C3O)=O)OC)C(=O)OC

subset

  • 2_STAR

synonym EXACT

  • methyl (6aR,14aS)-11-[[(2S,3R,4S,5R,6S)-4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl]amino]-1,8,14a-trihydroxy-6a-methoxy-3-methyl-7,9,12,14-tetraoxo-5,6-dihydrobenzo[a]tetracene-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:219769

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