input word = C00058885

Metabolite InformationStructural formula
Name 30alpha-Hydroxyl xylogranatin A
Formula C32H40O10
Mw 584.2621475
CAS RN 1003566-55-9
C_ID C00058885
InChIKey JRGGKFVQMVWASB-AETZILTPSA-N
InChICode InChI=1S/C32H40O10/c1-8-16(2)28(37)42-27-23-24(35)31(6,19(29(27,3)4)13-21(33)39-7)18-9-11-30(5)20(32(18,38)25(23)36)14-22(34)41-26(30)17-10-12-40-15-17/h8,10,12,14-15,18-19,23,25-27,36,38H,9,11,13H2,1-7H3/b16-8+/t18-,19+,23+,25-,26+,27-,30-,31-,32-/m1/s1
SMILES CC=C(C)C(=O)OC1C2C(=O)C(C)(C(CC(=O)OC)C1(C)C)C1CCC3(C)C(=CC(=O)OC3c3ccoc3)C1(O)C2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
zoom in