input word = C00040518

Metabolite InformationStructural formula
Name Toxicol B
Formula C36H54O3
Mw 534.40729559
CAS RN 149764-32-9
C_ID C00040518 ,
InChIKey VCNJMPOFIIFUFK-UHFFFAOYNA-N
InChICode InChI=1S/C36H54O3/c1-31(2)15-8-16-36(7)27(31)13-19-35(6)29(39-36)14-20-34(35,5)24-12-17-32(3)23(24)11-18-33(4)28(32)21-22-25(37)9-10-26(38)30(22)33/h9-10,23-24,27-29,37-38H,8,11-21H2,1-7H3/t23-,24+,27+,28+,29-,32+,33-,34-,35-,36+/m1/s1
SMILES [C@@H]12[C@@](CC[C@H]3[C@@]1(CC[C@@H]3[C@]1(CC[C@@H]3[C@]1(CC[C@@H]1[C@@](O3)(CCCC1(C)C)C)C)C)C)(c1c(C2)c(ccc1O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Toxiclona toxius Ref.
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