input word = C00063620

Metabolite InformationStructural formula
Name Aloenin B
Formula C34H38O17
Mw 718.21089979
CAS RN 106533-41-9
C_ID C00063620
InChIKey IZBGWXJOIXZDBF-WLFSTHIVSA-N
InChICode InChI=1S/C34H38O17/c1-15-9-19(46-33-31(44)29(42)27(40)22(13-35)49-33)11-21(26(15)20-10-18(45-2)12-25(39)47-20)48-34-32(30(43)28(41)23(14-36)50-34)51-24(38)8-5-16-3-6-17(37)7-4-16/h3-12,22-23,27-37,40-44H,13-14H2,1-2H3/b8-5+/t22-,23-,27-,28-,29+,30+,31-,32-,33-,34-/m1/s1
SMILES COc1cc(-c2c(C)cc(OC3OC(CO)C(O)C(O)C3O)cc2OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc2ccc(O)cc2)oc(=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsphodelaceaeAloe rupestris Ref.
zoom in