input word = C00032420

Metabolite InformationStructural formula
Name Trillenoside C
(-)-Trillenoside C
Formula C37H54O16
Mw 754.34118568
CAS RN 58808-76-7
C_ID C00032420 ,
InChIKey MQZAFJLDPZJMKO-GLRQLHLONA-N
InChICode InChI=1S/C37H54O16/c1-13-11-49-37(33(47)25(13)41)20(10-38)24-18-6-7-19-17(23(18)28(44)31(24)53-37)5-4-15-8-16(39)9-22(36(15,19)3)51-35-32(27(43)21(40)12-48-35)52-34-30(46)29(45)26(42)14(2)50-34/h4,13-14,16-17,19-22,24-27,29-35,38-43,45-47H,5-12H2,1-3H3/t13-,14-,16+,17+,19-,20-,21-,22+,24-,25+,26-,27-,29+,30+,31+,32+,33-,34-,35-,36-,37-/m0/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)C)CCC1=C3C(=O)[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H]([C@H]([C@@H]1O)O)C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTrilliaceaeTrillium kamtschaticum Ref.
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