input word = C00041738

Metabolite InformationStructural formula
Name Pentaphlorethol-B undeca acetate
Formula C52H44O26
Mw 1084.21208158
CAS RN 227085-31-6
C_ID C00041738 ,
InChIKey SKCQHCWLGREPAP-UHFFFAOYSA-N
InChICode InChI=1S/C52H44O26/c1-23(53)64-34-12-35(65-24(2)54)14-36(13-34)75-49-41(69-28(6)58)21-40(22-42(49)70-29(7)59)76-50-47(77-51-43(71-30(8)60)15-37(66-25(3)55)16-44(51)72-31(9)61)19-39(68-27(5)57)20-48(50)78-52-45(73-32(10)62)17-38(67-26(4)56)18-46(52)74-33(11)63/h12-22H,1-11H3
SMILES CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3c(Oc4c(OC(C)=O)cc(OC(C)=O)cc4OC(C)=O)cc(OC(C)=O)cc3Oc3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)cc2OC(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