input word = C00046126

Metabolite InformationStructural formula
Name Mappain
Formula C29H36O4
Mw 448.26135964
CAS RN 319915-14-5
C_ID C00046126 ,
InChIKey GJZKDVGLDGLPMB-ZVBRSKEYSA-N
InChICode InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+
SMILES c1(c(c(cc(c1)/C=C/c1cc(c(c(c1)O)O)C/C=C(\C)/CCC=C(C)C)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMacaranga mappa Ref.
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