input word = C00003603

Metabolite InformationStructural formula
Name Asclepin
Formula C31H42O10
Mw 574.27779756
CAS RN 36573-63-4
C_ID C00003603 ,
InChIKey OXKMZIABKYHLAR-FYKOYGDGNA-N
InChICode InChI=1S/C31H42O10/c1-16-10-25(39-17(2)33)31(36)27(38-16)40-23-12-19-4-5-22-21(29(19,15-32)13-24(23)41-31)6-8-28(3)20(7-9-30(22,28)35)18-11-26(34)37-14-18/h11,15-16,19-25,27,35-36H,4-10,12-14H2,1-3H3/t16-,19+,20-,21+,22-,23-,24-,25+,27+,28-,29-,30+,31+/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](C)O[C@H]2O[C@@H]3C[C@@H]4CC[C@@H]5[C@H](CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]56O)[C@@]4(C=O)C[C@H]3O[C@]21O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
PlantaeApocynaceaeAsclepias fruticosa R.Br. Ref.
PlantaeApocynaceaeAsclepias spp. Ref.
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