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Concept information

Preferred term

اسمیلانیپین A  

Type

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

charge

  • 0

formula

  • C39H64O12

inchi

  • InChI=1S/C39H64O12/c1-18-8-13-39(47-16-18)19(2)28-26(51-39)15-25-23-7-6-21-14-22(9-11-37(21,4)24(23)10-12-38(25,28)5)49-36-34(45)32(43)30(41)27(50-36)17-46-35-33(44)31(42)29(40)20(3)48-35/h18-36,40-45H,6-17H2,1-5H3

inchikey

  • HXATWZQZOVMWCQ-UHFFFAOYSA-N

mass

  • 724.929

monoisotopicmass

  • 724.43978

smiles

  • O1C2C(C3(C(C4C(C5(C(CC4)CC(OC6OC(C(O)C(O)C6O)COC7OC(C(O)C(O)C7O)C)CC5)C)CC3)C2)C)C(C18OCC(CC8)C)C

subset

  • 2_STAR

synonym EXACT

  • 2-methyl-6-[[3,4,5-trihydroxy-6-(5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl)oxyoxan-2-yl]methoxy]oxane-3,4,5-triol

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:176302

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