input word = C00025520

Metabolite InformationStructural formula
Name Mitiphylline
Formula C31H49NO6
Mw 531.3559883
CAS RN 22214-87-5
C_ID C00025520 ,
InChIKey OVMMEOOJBFLIFD-GNENARKDNA-N
InChICode InChI=1S/C31H49NO6/c1-18-28(32-4)25(35-5)16-27(37-18)38-21-8-11-29(2)20(15-21)6-7-24-23(29)9-12-30(3)22(10-13-31(24,30)34)19-14-26(33)36-17-19/h14,18,20-25,27-28,32,34H,6-13,15-17H2,1-5H3/t18-,20-,21+,22-,23+,24-,25-,27-,28+,29+,30-,31+/m1/s1
SMILES [C@]12([C@@H]3CC[C@@H]4C[C@H](CC[C@@]4([C@H]3CC[C@@]1([C@H](CC2)C1=CC(=O)OC1)C)C)O[C@@H]1C[C@H]([C@H]([C@H](O1)C)NC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHolarrhena mitis Ref.
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