input word = C00049798

Metabolite InformationStructural formula
Name Justin B
(-)-Justin B
Formula C25H30O9
Mw 474.18898256
CAS RN 202655-27-4
C_ID C00049798 ,
InChIKey MUMXMGJVVACIFK-YLBUIOQXNA-N
InChICode InChI=1S/C25H30O9/c1-15(26)31-12-19(7-17-5-6-21-22(9-17)34-14-33-21)20(13-32-16(2)27)8-18-10-23(29-3)25(28)24(11-18)30-4/h5-6,9-11,19-20,28H,7-8,12-14H2,1-4H3/t19-,20-/m0/s1
SMILES c1(ccc2c(c1)OCO2)C[C@H]([C@@H](Cc1cc(c(c(c1)OC)O)OC)COC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia procumbens Ref.
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