input word = C00014754

Metabolite InformationStructural formula
Name Taiwanhomoflavone C
Formula C66H50O21
Mw 1178.28445866
CAS RN 750643-00-6
C_ID C00014754 ,
InChIKey HIXAHAAXXUDFLS-UHFFFAOYNA-N
InChICode InChI=1S/C66H50O21/c1-27-46(81-4)25-53-56(62(27)75)38(69)19-47(86-53)28-7-11-36(67)32(15-28)34-17-30(9-13-44(34)79-2)49-20-39(70)57-51(84-49)23-42(73)60(63(57)76)61-43(74)24-52-58(64(61)77)40(71)21-50(85-52)31-10-14-45(80-3)35(18-31)33-16-29(8-12-37(33)68)48-22-41(72)59-54(87-48)26-55(82-5)66(83-6)65(59)78/h7-19,22-26,49-50,67-68,73-78H,20-21H2,1-6H3/t49-,50+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1cc(c(cc1)O)c1cc(ccc1OC)[C@H]1CC(=O)c2c(O1)cc(c(c2O)c1c(c2c(cc1O)O[C@@H](CC2=O)c1cc(c(cc1)OC)c1cc(ccc1O)c1cc(=O)c2c(o1)cc(c(c2O)C)OC)O)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCephalotaxaceaeCephalotaxus wilsoniana Ref.
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