input word = C00029406

Metabolite InformationStructural formula
Name 16alpha-Hydroxyuscharin
Formula C31H41NO9S
Mw 603.25020265
CAS RN 159337-02-7
C_ID C00029406 ,
InChIKey WHPLQBQPUGBPJI-SUPVBIRONA-N
InChICode InChI=1S/C31H41NO9S/c1-16-11-30(32-7-8-42-30)31(37)26(39-16)40-22-10-18-3-4-20-19(28(18,15-33)13-23(22)41-31)5-6-27(2)25(17-9-24(35)38-14-17)21(34)12-29(20,27)36/h7,9,15-16,18-23,25-26,34,36-37H,3-6,8,10-14H2,1-2H3/t16-,18+,19+,20-,21-,22-,23-,25+,26+,27-,28-,29+,30+,31-/m1/s1
SMILES C1[C@H](O[C@@H]2[C@]([C@@]31N=CCS3)(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)O)C1=CC(=O)OC1)C)O)C=O)O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAsclepias curassavica L. Ref.
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