input word = C00041753

Metabolite InformationStructural formula
Name Phlorethol-C nonaacetate
Formula C42H36O21
Mw 876.17490822
CAS RN 94530-71-9
C_ID C00041753 ,
InChIKey SNOQGBJKTUFQTL-UHFFFAOYSA-N
InChICode InChI=1S/C42H36O21/c1-19(43)52-28-10-11-32(33(12-28)54-21(3)45)63-42-38(59-26(8)50)17-31(18-39(42)60-27(9)51)62-41-36(57-24(6)48)15-30(16-37(41)58-25(7)49)61-40-34(55-22(4)46)13-29(53-20(2)44)14-35(40)56-23(5)47/h10-18H,1-9H3
SMILES CC(=O)Oc1ccc(Oc2c(OC(C)=O)cc(Oc3c(OC(C)=O)cc(Oc4c(OC(C)=O)cc(OC(C)=O)cc4OC(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