input word = C00041318

Metabolite InformationStructural formula
Name Adociaquinol
Formula C36H54O2
Mw 518.41238097
CAS RN 904689-11-8
C_ID C00041318 ,
InChIKey DSIWSVWCVRVVNU-XTCWBPQKNA-N
InChICode InChI=1S/C36H54O2/c1-24-10-14-31-33(3,4)17-8-19-35(31,6)28(24)16-21-34(5)18-9-20-36(7)29(25(2)11-15-32(34)36)23-26-22-27(37)12-13-30(26)38/h11-13,22,28-29,31-32,37-38H,1,8-10,14-21,23H2,2-7H3/t28-,29-,31-,32-,34+,35-,36-/m0/s1
SMILES C1C(=C)[C@@H]([C@]2([C@@H](C1)C(CCC2)(C)C)C)CC[C@@]1([C@H]2[C@@](CCC1)([C@H](C(=CC2)C)Cc1c(ccc(c1)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaChalinidaeHaliclona sp. Ref.
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