input word = C00059268

Metabolite InformationStructural formula
Name Protoxylocarpin E
Formula C35H52O9
Mw 616.36113326
CAS RN 1142811-07-1
C_ID C00059268
InChIKey VLHOBEFYZZUNTQ-CHMNAIGGSA-N
InChICode InChI=1S/C35H52O9/c1-18(36)42-23-17-34(8)21(20-15-22(44-30(20)41-10)29(39)32(5,6)40)11-12-24(34)35(9)27(43-19(2)37)16-25-31(3,4)26(38)13-14-33(25,7)28(23)35/h12-14,20-23,25,27-30,39-40H,11,15-17H2,1-10H3/t20-,21-,22+,23+,25-,27+,28+,29+,30+,33-,34-,35+/m0/s1
SMILES COC1OC(C(O)C(C)(C)O)CC1C1CC=C2C1(C)CC(OC(C)=O)C1C3(C)C=CC(=O)C(C)(C)C3CC(OC(C)=O)C21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeXylocarpus granatum Ref.
zoom in