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 CC1(C)CCCC2(C)OC3CCC(C)(C4CCC5(C)C4CCC4(C)c6c(O)ccc(O)c6CC45)C3(C)CCC12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Toxiclona toxius Ref.
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OrganismToxiclona toxius
ReferenceNakao,J.Nat.Prod.,70,(2007),689