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Concept information

Preferred term

VM48642  

Type

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

Broader concept

charge

  • 0

formula

  • C40H52O11

inchi

  • InChI=1S/C40H52O11/c1-6-25(4)36-26(5)15-33(41)39(51-36)19-31-18-30(50-39)11-10-24(3)14-23(2)8-7-9-29-22-48-37-35(43)28(17-32(38(44)49-31)40(29,37)45)21-47-34(42)16-27-12-13-46-20-27/h6-10,12-13,17,20,23,26,30-33,35-37,41,43,45H,11,14-16,18-19,21-22H2,1-5H3/b8-7+,24-10+,25-6+,29-9-/t23-,26-,30+,31-,32-,33+,35+,36+,37?,39-,40+/m0/s1

inchikey

  • MMJZBNMYLYMZNZ-HYSBISJLSA-N

mass

  • 708.845

monoisotopicmass

  • 708.35096

smiles

  • O=C1O[C@@H]2C[C@@]3(O[C@H](/C(=C/C)/C)[C@@H](C)C[C@H]3O)O[C@@H](C2)CC=C(C[C@H](C=CC=C4[C@]5([C@H]1C=C([C@@H](O)C5OC4)COC(=O)CC6=COC=C6)O)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1R,3'R,4S,5'S,6S,6'S,8R,10E,13R,14E,16E,21R,24S)-6'-[(E)-but-2-en-2-yl]-3',21,24-trihydroxy-5',11,13-trimethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-22-yl]methyl 2-(uran-3-yl)acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212803

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