input word = C00041918

Metabolite InformationStructural formula
Name Tetraphlorethol E nonaacetate
Formula C42H36O21
Mw 876.17490822
CAS RN 227085-29-2
C_ID C00041918 ,
InChIKey LCPNNGGYCQHCMM-UHFFFAOYSA-N
InChICode InChI=1S/C42H36O21/c1-19(43)52-28-10-29(53-20(2)44)12-30(11-28)62-40-34(56-23(5)47)17-33(18-35(40)57-24(6)48)61-39-16-32(55-22(4)46)15-38(60-27(9)51)42(39)63-41-36(58-25(7)49)13-31(54-21(3)45)14-37(41)59-26(8)50/h10-18H,1-9H3
SMILES CC(=O)Oc1cc(OC(C)=O)cc(Oc2c(OC(C)=O)cc(Oc3cc(OC(C)=O)cc(OC(C)=O)c3Oc3c(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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