input word = C00041530

Metabolite InformationStructural formula
Name Fucotriphlorethol-G dodeca-acetate
Formula C54H46O27
Mw 1126.22264627
CAS RN 227085-38-3
C_ID C00041530 ,
InChIKey VGTURBVODXWGJX-UHFFFAOYSA-N
InChICode InChI=1S/C54H46O27/c1-22(55)68-34-13-38(67)48(39(14-34)70-24(3)57)49-40(71-25(4)58)17-36(18-41(49)72-26(5)59)80-52-45(76-30(9)63)19-37(20-46(52)77-31(10)64)81-53-47(78-32(11)65)21-44(75-29(8)62)51(54(53)79-33(12)66)50-42(73-27(6)60)15-35(69-23(2)56)16-43(50)74-28(7)61/h13-21,67H,1-12H3
SMILES CC(=O)Oc1cc(O)c(-c2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(Oc4c(OC(C)=O)cc(OC(C)=O)c(-c5c(OC(C)=O)cc(OC(C)=O)cc5OC(C)=O)c4OC(C)=O)cc3OC(C)=O)cc2OC(C)=O)c(OC(C)=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
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OrganismCystophora retroflexa
ReferenceSailler,J.Nat.Prod.,69,(2006),869