input word = C00040520

Metabolite InformationStructural formula
Name Toxiusol
Formula C36H54O8S2
Mw 678.32601016
CAS RN 153322-44-2
C_ID C00040520 ,
InChIKey IDKFTCRFJYOYKG-UHFFFAOYNA-N
InChICode InChI=1S/C36H54O8S2/c1-24-12-15-28-30(10-8-18-33(28,3)4)35(24,6)21-20-34(5)19-9-11-31-29(34)16-13-25(2)36(31,7)23-26-22-27(43-45(37,38)39)14-17-32(26)44-46(40,41)42/h10,14,16-17,22,24-25,28,31H,8-9,11-13,15,18-21,23H2,1-7H3,(H,37,38,39)(H,40,41,42)/t24-,25-,28-,31-,34+,35+,36+/m1/s1
SMILES C1CC[C@@H]2C(=CC[C@H]([C@@]2(Cc2c(ccc(c2)OS(=O)(=O)O)OS(=O)(=O)O)C)C)[C@@]1(CC[C@]1([C@@H](CC[C@@H]2C1=CCCC2(C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Toxiclona toxius Ref.
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