input word = C00040513

Metabolite InformationStructural formula
Name Toxadocial A
Formula C48H96O17S4
Mw 1072.55303456
CAS RN 148099-32-5
C_ID C00040513 ,
InChIKey JCMMPQNHPDMWBD-UHFFFAOYNA-N
InChICode InChI=1S/C48H96O17S4/c1-3-5-7-25-35-45(62-66(50,51)52)37-27-17-11-9-13-19-29-39-47(64-68(56,57)58)41-31-21-15-16-23-33-44(43-49)34-24-22-32-42-48(65-69(59,60)61)40-30-20-14-10-12-18-28-38-46(63-67(53,54)55)36-26-8-6-4-2/h43-48H,3-42H2,1-2H3,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)/t44-,45+,46-,47+,48+/m0/s1
SMILES CCCCCC[C@@H](OS(=O)(=O)O)CCCCCCCCC[C@H](CCCCCCC[C@H](C=O)CCCCC[C@@H](CCCCCCCCC[C@H](CCCCCC)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Toxadocia sp. Ref.
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OrganismToxadocia sp.
ReferenceNakao,J.Nat.Prod.,70,(2007),689