input word = C00055833

Metabolite InformationStructural formula
Name Ephedrannin Tr1
Formula C45H36O21
Mw 912.17490822
CAS RN 1592431-76-9
C_ID C00055833
InChIKey BQZACTOCMVGOBC-URFAOYNJSA-N
InChICode InChI=1S/C45H36O21/c46-15-7-18(48)30-28(8-15)65-45(14-5-25(55)38(60)26(56)6-14)44(62)35(30)33-29(66-45)11-20(50)32-34(39(61)41(64-43(32)33)13-3-23(53)37(59)24(54)4-13)31-19(49)10-17(47)16-9-27(57)40(63-42(16)31)12-1-21(51)36(58)22(52)2-12/h1-8,10-11,27,34-35,39-41,44,46-62H,9H2/t27-,34-,35+,39+,40+,41+,44+,45-/m0/s1
SMILES OC1=CC(O)=CC2=C1[C@@H]3C(C(O[C@@](C4=CC(O)=C(O)C(O)=C4)([H])[C@H](O)[C@@]5([H])C6=C(O)C=C(O)C7=C6O[C@@](C8=CC(O)=C(O)C(O)=C8)([H])[C@@H](O)C7)=C5C(O)=C9)=C9O[C@@](C%10=CC(O)=C(O)C(O)=C%10)([C@@H]3O)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEphedraceaeEphedra sinica Ref.
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