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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > 16-demethylrifamycin s
organooxygen compound > oxacycle > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 16-demethylrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 16-demethylrifamycin s

Preferred term

16-demethylrifamycin s  

Type

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

Broader concept

charge

  • 0

formula

  • C36H43NO12

inchi

  • InChI=1S/C36H43NO12/c1-16-11-9-10-12-25(40)37-22-15-23(39)26-27(32(22)44)31(43)20(5)34-28(26)35(45)36(7,49-34)47-14-13-24(46-8)17(2)33(48-21(6)38)19(4)30(42)18(3)29(16)41/h9-19,24,29-30,33,41-43H,1-8H3,(H,37,40)/b11-9+,12-10-,14-13?/t16-,17+,18+,19+,24-,29-,30+,33+,36-/m0/s1

inchikey

  • KVLDCGUGRFRGTB-PDRYZKAASA-N

mass

  • 681.735

monoisotopicmass

  • 681.27853

smiles

  • O=C1NC=2C(=O)C3=C(O)C(=C4O[C@@](C(C4=C3C(C2)=O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1)C)O)C)O)C)OC(=O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(7S,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212266

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