input word = C00033456

Metabolite InformationStructural formula
Name Tuberculatin
Formula C26H24O11
Mw 512.13186161
CAS RN 90706-10-8
C_ID C00033456 ,
InChIKey BJATWCDTYAVIDS-HDCLXKGUNA-N
InChICode InChI=1S/C26H24O11/c1-31-17-6-13-14(7-18(17)32-2)22(37-25-23(28)26(30,9-27)10-34-25)21-15(8-33-24(21)29)20(13)12-3-4-16-19(5-12)36-11-35-16/h3-7,23,25,27-28,30H,8-11H2,1-2H3/t23-,25-,26+/m0/s1
SMILES [C@@H]1([C@@H]([C@](CO1)(CO)O)O)Oc1c2c(c(c3c1cc(c(c3)OC)OC)c1cc3c(cc1)OCO3)COC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeJusticia ciliata Ref.
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia subelliptica Merr. Ref.
PlantaeRutaceaeHaplophyllum patavinum Ref.
PlantaeRutaceaeRuta tuberculata Ref.
--Rostellularia procumbens Ref.
--Usticia procumbens Ref.
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