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 [C@H]12[C@@H](C[C@H]3[C@](C1)([C@@H]1[C@@H](CC3)[C@@]3([C@](CC1)([C@H](CC3)C1=CC(=O)OC1)C)O)C=O)O[C@H]1[C@@](O2)([C@H](C[C@H](O1)C)OC(=O)C)O
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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