input word = C00051528

Metabolite InformationStructural formula
Name Melianol
Formula C30H48O4
Mw 472.35526002
CAS RN 16838-01-0
C_ID C00051528
InChIKey DABHSVCBZNIZDT-XKWOYKKHNA-N
InChICode InChI=1S/C30H48O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,17-19,21-25,31-32H,9-16H2,1-7H3/t17-,18-,19-,21+,22-,23-,24-,25+,28+,29-,30+/m0/s1
SMILES CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(O)CC[C@]5(C)[C@H]4CC[C@@]23C)[C@H](O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeMelia azedarach Ref.
zoom in