input word = C00041441

Metabolite InformationStructural formula
Name Cinnafragrin C
(-)-Cinnafragrin C
Formula C51H70O14
Mw 906.47655695
CAS RN 910246-15-0
C_ID C00041441 ,
InChIKey YTOQPRPHVXEGPA-QAXVGVRYNA-N
InChICode InChI=1S/C51H70O14/c1-26(53)59-32-22-30(50(57,25-52)48(11)20-14-17-44(4,5)37(32)48)42-64-43-51(65-42)31(23-33(60-27(2)54)38-45(6,7)18-15-21-49(38,51)12)41(63-43)62-35-29-24-58-40(56)34(29)47(10)19-13-16-46(8,9)39(47)36(35)61-28(3)55/h22-23,25,32-33,35-39,41-43,57H,13-21,24H2,1-12H3/t32-,33-,35-,36+,37-,38-,39-,41-,42+,43-,47+,48-,49-,50+,51-/m0/s1
SMILES C1CC([C@H]2[C@](C1)([C@]13C(=C[C@@H]2OC(=O)C)[C@H](O[C@H]1O[C@H](O3)C1=C[C@@H]([C@@H]2[C@@]([C@@]1(O)C=O)(CCCC2(C)C)C)OC(=O)C)O[C@H]1C2=C([C@@]3([C@@H]([C@@H]1OC(=O)C)C(CCC3)(C)C)C)C(=O)OC2)C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCanellaceaeCinnamosma fragrans Ref.
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