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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 > 3,31-dihydroxyrifamycin 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 > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > naphthofuran > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > 3,31-dihydroxyrifamycin 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 > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > naphthofuran > 3,31-dihydroxyrifamycin s
organooxygen compound > oxacycle > naphthofuran > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 3,31-dihydroxyrifamycin 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 > 3,31-dihydroxyrifamycin s
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > naphthofuran > 3,31-dihydroxyrifamycin s

Preferred term

3,31-dihydroxyrifamycin s  

Type

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

Broader concept

charge

  • 0

formula

  • C37H45NO14

inchi

  • InChI=1S/C37H45NO14/c1-15-10-9-11-21(14-39)28(42)17(3)27(41)18(4)33(51-20(6)40)16(2)22(49-8)12-13-50-37(7)35(47)25-23-24(29(43)19(5)34(25)52-37)30(44)26(38-36(15)48)32(46)31(23)45/h9-13,16-18,21-22,27-28,33,39,41-44H,14H2,1-8H3,(H,38,48)/b11-9+,13-12+,15-10-/t16-,17+,18-,21-,22+,27-,28-,33-,37+/m1/s1

inchikey

  • HZPYFOHDSMHJDD-LAPQMNFSSA-N

mass

  • 727.760

monoisotopicmass

  • 727.28401

smiles

  • O=C1NC2=C(O)C3=C(O)C(=C4O[C@@](C(C4=C3C(C2=O)=O)=O)(OC=C[C@H](OC)[C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]([C@H](C=CC=C1C)CO)O)C)O)C)OC(=O)C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225125

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