input word = C00040473

Metabolite InformationStructural formula
Name Tetrafucol B
Formula C48H42O24
Mw 1002.20660228
CAS RN 57103-42-1
C_ID C00040473 ,
InChIKey KBIABEVRNCRDCP-UHFFFAOYSA-N
InChICode InChI=1S/C48H42O24/c1-19(49)61-31-13-34(64-22(4)52)40(35(14-31)65-23(5)53)43-46(70-28(10)58)44(41-36(66-24(6)54)15-32(62-20(2)50)16-37(41)67-25(7)55)48(72-30(12)60)45(47(43)71-29(11)59)42-38(68-26(8)56)17-33(63-21(3)51)18-39(42)69-27(9)57/h13-18H,1-12H3
SMILES CC(=O)Oc1cc(OC(C)=O)c(-c2c(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c(OC(C)=O)c(-c3c(OC(C)=O)cc(OC(C)=O)cc3OC(C)=O)c2OC(C)=O)c(OC(C)=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFucaceaeFucus vesiculosus Ref.
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