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Concept information

Preferred term

canescein  

Type

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

Broader concept

charge

  • 0

formula

  • C29H42O11

inchi

  • InChI=1S/C29H42O11/c1-14-22(33)23(34)24(35)25(39-14)40-16-3-6-27(13-30)21-18(4-7-28(27,36)10-16)29(37)8-5-17(15-9-20(32)38-12-15)26(29,2)11-19(21)31/h9,13-14,16-19,21-25,31,33-37H,3-8,10-12H2,1-2H3/t14-,16+,17-,18-,19-,21-,22+,23-,24-,25+,26-,27+,28+,29+/m1/s1

inchikey

  • AZOXLPPOBHVORY-DKHHQGSCSA-N

mass

  • 566.644

monoisotopicmass

  • 566.27271

smiles

  • O[C@@]12[C@]3([C@@]([C@@]4([C@](O)(CC3)C[C@@H](O[C@@H]5O[C@@H]([C@H](O)[C@@H](O)[C@H]5O)C)CC4)C=O)([C@H](O)C[C@@]1([C@H](CC2)C=6COC(=O)C6)C)[H])[H]

subset

  • 2_STAR

synonym EXACT

  • (3S,5S,8R,9S,10S,11R,13R,14S,17R)-5,11,14-trihydroxy-13-methyl-17-(5-oxo-2H-uran-3-yl)-3-[(2R,3R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:189972

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