input word = C00009376

Metabolite InformationStructural formula
Name Stenophynin A
Formula C49H36O27
Mw 1056.14439595
CAS RN 105330-40-3
C_ID C00009376 ,
InChIKey VDJLIPIYACUUQP-WYTVXLORNA-N
InChICode InChI=1S/C49H36O27/c50-16-2-1-11(3-17(16)51)25-9-20(54)31-18(52)8-19(53)32(42(31)72-25)43-45-44(75-48(69)14-6-23(57)35(61)39(65)29(14)30-15(49(70)76-45)7-24(58)36(62)40(30)66)41-26(73-43)10-71-46(67)12-4-21(55)33(59)37(63)27(12)28-13(47(68)74-41)5-22(56)34(60)38(28)64/h1-8,20,25-26,41,43-45,50-66H,9-10H2/t20-,25-,26-,41-,43-,44+,45+/m1/s1
SMILES [C@H]12[C@H]3[C@H]([C@H](O[C@@H]1COC(=O)c1c(c(c(c(c1)O)O)O)c1c(cc(c(c1O)O)O)C(=O)O2)c1c(cc(c2c1O[C@H](C[C@H]2O)c1ccc(c(c1)O)O)O)O)OC(=O)c1c(c2c(C(=O)O3)cc(c(c2O)O)O)c(c(c(c1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFagaceaeQuercus stenophylla Ref.
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