input word = C00040254

Metabolite InformationStructural formula
Name Schisantherin Q
Formula C22H22O8
Mw 414.13146768
CAS RN 163565-72-8
C_ID C00040254 ,
InChIKey SEBKCRYGYKNELU-UHFFFAOYNA-N
InChICode InChI=1S/C22H22O8/c1-9-10(2)18(24)12-6-14-20(30-8-28-14)22(26-4)16(12)15-11(17(9)23)5-13-19(21(15)25-3)29-7-27-13/h5-6,9-10,17,23H,7-8H2,1-4H3/t9-,10-,17+/m1/s1
SMILES COc1c2c(cc3c1-c1c(cc4c(c1OC)OCO4)C(O)C(C)C(C)C3=O)OCO2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSchisandraceaeKadsura angustifolia Ref.
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