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Chemistry, part 1

Content language

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Concept information

organooxygen compound > kansuinin b

Preferred term

kansuinin b  

Type

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

Broader concept

charge

  • 0

formula

  • C38H42O14

has_functional_parent

inchi

  • InChI=1S/C38H42O14/c1-18-26(50-33(44)22-14-10-8-11-15-22)24-31(48-20(3)39)37(7,47)35(46)38(24,52-21(4)40)29(42)19(2)28-32(49-28)36(5,6)30(43)25(41)27(18)51-34(45)23-16-12-9-13-17-23/h8-17,19,24-28,31-32,35,41,46-47H,1H2,2-7H3/t19-,24-,25+,26-,27-,28+,31+,32-,35-,37-,38+/m0/s1

inchikey

  • JFOILMZFESGPDU-AOFCAHJOSA-N

mass

  • 722.740

monoisotopicmass

  • 722.25746

smiles

  • O1[C@H]2[C@H]1C(C(=O)[C@H](O)[C@@H](OC(=O)C3=CC=CC=C3)C([C@H](OC(=O)C4=CC=CC=C4)[C@@]5([C@](OC(=O)C)([C@@H](O)[C@@](O)([C@@H]5OC(=O)C)C)C(=O)[C@H]2C)[H])=C)(C)C

subset

  • 2_STAR

synonym EXACT

  • [(1S,3S,4R,6R,9R,10S,12R,13S,14R,15R,16S)-1,14-diacetyloxy-10-benzoyloxy-9,15,16-trihydroxy-3,7,7,15-tetramethyl-11-methylidene-2,8-dioxo-5-oxatricyclo[11.3.0.04,6]hexadecan-12-yl] benzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177455

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