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Concept information

ترکیب اکسیژن ارگانیک > oxacycle > اگزان ها > 11 O متیل اپی کوکلیوکینون A

Preferred term

11 O متیل اپی کوکلیوکینون A  

Type

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

Broader concept

charge

  • 0

formula

  • C31H46O8

inchi

  • InChI=1S/C31H46O8/c1-10-16(2)25(37-18(4)32)17(3)19-15-20(33)23-26(24(19)34)39-31(8)14-12-22-30(7,28(31)27(23)36-9)13-11-21(38-22)29(5,6)35/h15-17,21-22,25,27-28,35H,10-14H2,1-9H3/t16-,17-,21+,22+,25+,27+,28+,30-,31-/m0/s1

inchikey

  • VLSHHPMBFRCFNM-UVBOGGLASA-N

mass

  • 546.701

monoisotopicmass

  • 546.31927

smiles

  • O=C1C=2O[C@@]3([C@@H]([C@@]4([C@H](O[C@@H](C(O)(C)C)CC4)CC3)C)[C@@H](C2C(=O)C=C1[C@@H]([C@H](OC(=O)C)[C@H](CC)C)C)OC)C

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-3-(2-hydroxypropan-2-yl)-12-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl] acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:202492

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