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Concept information

Preferred term

دانگتینوید B  

Type

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

charge

  • 0

formula

  • C29H48O9

inchi

  • InChI=1S/C29H48O9/c1-15(2)17-8-10-28(4)12-19-18(9-11-29(19,36-7)14-35-6)16(3)22(30)26(21(17)28)38-27-25(33)24(32)23(31)20(37-27)13-34-5/h12,15-16,18,20,22-27,30-33H,8-11,13-14H2,1-7H3/b19-12+/t16-,18+,20-,22-,23-,24+,25-,26-,27-,28-,29-/m1/s1

inchikey

  • ULJZFXCFIJSTRL-RSRJVGMYSA-N

mass

  • 540.694

monoisotopicmass

  • 540.32983

smiles

  • O1[C@H](O[C@@H]2C3=C(C(C)C)CC[C@@]3(C=C4[C@](OC)(COC)CC[C@H]4[C@H]([C@H]2O)C)C)[C@H](O)[C@@H](O)[C@@H]([C@H]1COC)O

subset

  • 2_STAR

synonym EXACT

  • (2S,3R,4S,5S,6R)-2-[[(1E,3R,8R,9R,10R,11S,14S)-9-hydroxy-14-methoxy-14-(methoxymethyl)-3,10-dimethyl-6-propan-2-yl-8-tricyclo[9.3.0.03,7]tetradeca-1,6-dienyl]oxy]-6-(methoxymethyl)oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222874

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