input word = C00049291

Metabolite InformationStructural formula
Name Rhoipteleanin I
Formula C57H44O32
Mw 1240.18156932
CAS RN 223116-06-1
C_ID C00049291 ,
InChIKey KKVVHEIWULTLAR-UHFFFAOYNA-N
InChICode InChI=1S/C57H44O32/c58-11-26-40(69)46(75)48(77)57(86-26)85-25-10-16(35(64)15-4-2-1-3-14(15)25)31-33-34-32(44(73)47(76)45(33)74)30-19(9-24(63)39(68)43(30)72)55(81)89-51(50(31)88-56(34)82)49-27(84-52(78)13-5-20(59)36(65)21(60)6-13)12-83-53(79)17-7-22(61)37(66)41(70)28(17)29-18(54(80)87-49)8-23(62)38(67)42(29)71/h1-10,26-27,31,40,46,48-51,57-77H,11-12H2/t26-,27-,31-,40-,46+,48+,49-,50-,51+,57+/m1/s1
SMILES [C@H]1(c2c3C(=O)O[C@H]1[C@H]([C@@H]1OC(=O)c4c(c(c(c(c4)O)O)O)c4c(c(c(cc4C(=O)OC[C@H]1OC(=O)c1cc(c(c(c1)O)O)O)O)O)O)OC(=O)c1c(c3c(c(c2O)O)O)c(c(c(c1)O)O)O)c1cc(c2c(c1O)cccc2)O[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRhoipteleaceaeRhoiptelea chiliantha Ref.
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