input word = C00041529

Metabolite InformationStructural formula
Name Fucotriphlorethol-B dodeca-acetate
Formula C54H46O28
Mw 1142.21756089
CAS RN 96738-76-0
C_ID C00041529 ,
InChIKey VGBGIVDAQWCHPK-UHFFFAOYSA-N
InChICode InChI=1S/C54H46O28/c1-22(55)68-34-13-38(70-24(3)57)48(39(14-34)71-25(4)58)49-40(72-26(5)59)21-47(78-32(11)65)53(54(49)79-33(12)66)81-37-19-44(76-30(9)63)52(45(20-37)77-31(10)64)82-46-18-35(69-23(2)56)17-43(75-29(8)62)51(46)80-36-15-41(73-27(6)60)50(67)42(16-36)74-28(7)61/h13-21,67H,1-12H3
SMILES c1(c(c(cc(c1)OC(=O)C)OC(=O)C)Oc1cc(c(c(c1)OC(=O)C)O)OC(=O)C)Oc1c(cc(cc1OC(=O)C)Oc1c(c(c(cc1OC(=O)C)OC(=O)C)c1c(cc(OC(=O)C)cc1OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ChromalveolataSargassaceaeCystophora retroflexa Ref.
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