input word = C00029404

Metabolite InformationStructural formula
Name 16alpha-Acetoxycalotropin
Formula C31H42O11
Mw 590.27271219
CAS RN 121007-11-2
C_ID C00029404 ,
InChIKey BMPDNBQADRWROC-UHFFFAOYNA-N
InChICode InChI=1S/C31H42O11/c1-15-8-24(34)31(37)27(39-15)41-21-10-18-4-5-20-19(29(18,14-32)11-22(21)42-31)6-7-28(3)26(17-9-25(35)38-13-17)23(40-16(2)33)12-30(20,28)36/h9,14-15,18-24,26-27,34,36-37H,4-8,10-13H2,1-3H3/t15-,18-,19-,20-,21-,22+,23-,24-,26+,27-,28-,29-,30-,31-/m0/s1
SMILES C1[C@@H](O[C@@H]2[C@]([C@H]1O)(O[C@H]1[C@@H](O2)C[C@H]2[C@@](C1)([C@@H]1[C@H](CC2)[C@@]2([C@@](CC1)([C@@H]([C@H](C2)OC(=O)C)C1=CC(=O)OC1)C)O)C=O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
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