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Concept information

Preferred term

کریسامایسین C  

Type

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

charge

  • 0

formula

  • C32H22O13

inchi

  • InChI=1S/C32H22O13/c1-9-21-24(27-17(41-9)7-19(35)43-27)26(38)22-13(25(21)37)3-11(5-15(22)33)12-4-14-23(16(34)6-12)29(40)32-30-18(8-20(36)44-30)42-10(2)31(32,45-32)28(14)39/h3-6,9-10,17-18,27,30,33-34H,7-8H2,1-2H3/t9-,10+,17-,18+,27+,30+,31-,32-/m0/s1

inchikey

  • CHWSBZJOQBRSAL-BAVHMYRHSA-N

mass

  • 614.515

monoisotopicmass

  • 614.10604

smiles

  • O=C1C2=C(C(=O)C3=C1[C@@H](O[C@@H]4[C@H]3OC(=O)C4)C)C(O)=CC(=C2)C5=CC(O)=C6C(=O)[C@@]78[C@@H]9OC(=O)C[C@H]9O[C@@H]([C@@]8(C(C6=C5)=O)O7)C

subset

  • 2_STAR

synonym EXACT

  • (1R,10S,11R,15R,17R)-7-hydroxy-5-[(11S,15S,17S)-7-hydroxy-17-methyl-2,9,13-trioxo-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraen-5-yl]-17-methyl-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3(8),4,6-triene-2,9,13-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222212

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