input word = C00027720

Metabolite InformationStructural formula
Name 21-Hydroxysycophantine
Formula C50H81NO20
Mw 1015.53519404
CAS RN 188342-01-0
C_ID C00027720 ,
InChIKey AAXCNACZLXEEAS-WNFZEWLLNA-N
InChICode InChI=1S/C50H81NO20/c1-20-8-13-50(51-16-20)28(17-52)32-30(71-50)15-27-25-7-6-23-14-24(9-11-48(23,4)26(25)10-12-49(27,32)5)66-47-43(70-45-39(61)36(58)33(55)21(2)64-45)40(62)41(31(18-53)67-47)68-46-42(37(59)34(56)22(3)65-46)69-44-38(60)35(57)29(54)19-63-44/h6,20-22,24-47,51-62H,7-19H2,1-5H3/t20-,21+,22+,24+,25-,26+,27+,28+,29-,30+,31-,32+,33+,34+,35+,36-,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47-,48+,49+,50-/m1/s1
SMILES C[C@@H]1CC[C@@]2(NC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2CO
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeSolanum sycophanta Dunal et DC Ref.
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OrganismSolanum sycophanta Dunal et DC
ReferenceUsubillaga,Phytochem.,44,(1997),537