input word = C00003612

Metabolite InformationStructural formula
Name Convallatoxin
Formula C29H42O10
Mw 550.27779756
CAS RN 508-75-8
C_ID C00003612 ,
InChIKey HULMNSIAKWANQO-UHYBZZQCNA-N
InChICode InChI=1S/C29H42O10/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/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23-,24+,25+,26+,27-,28-,29-/m0/s1
SMILES C1[C@@H](C[C@@]2([C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C=O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeConvallaria majalis Ref.
PlantaeHyacinthaceaeOrnithogalum umbellatum Ref.
PlantaeMoraceaeAntiaris toxicaria Ref.
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