input word = C00049799

Metabolite InformationStructural formula
Name Justin C
(-)-Justin C
Formula C26H34O9
Mw 490.22028269
CAS RN 202655-28-5
C_ID C00049799 ,
InChIKey JSFBCUIUOOCNBJ-VSVVGSIZNA-N
InChICode InChI=1S/C26H34O9/c1-16(27)34-14-20(9-18-7-8-22(30-3)23(11-18)31-4)21(15-35-17(2)28)10-19-12-24(32-5)26(29)25(13-19)33-6/h7-8,11-13,20-21,29H,9-10,14-15H2,1-6H3/t20-,21-/m0/s1
SMILES c1(cc(c(c(c1)OC)O)OC)C[C@H]([C@@H](Cc1cc(c(cc1)OC)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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