input word = C00055429

Metabolite InformationStructural formula
Name Convallatoxol
Formula C29H44O10
Mw 552.29344763
CAS RN 3253-62-1
C_ID C00055429
InChIKey UQEKVLJMBGSQGS-ONVKTHNWSA-N
InChICode InChI=1S/C29H44O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,15,17-20,22-25,30,32-36H,3-10,12-14H2,1-2H3/t15-,17-,18+,19-,20+,22+,23+,24+,25-,26+,27-,28-,29-/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
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