input word = C00036171

Metabolite InformationStructural formula
Name Neoboutonin
Formula C22H22O7
Mw 398.13655306
CAS RN 17187-79-0
C_ID C00036171 ,
InChIKey CJLVKDPRUXBTJQ-VHTNKVCQNA-N
InChICode InChI=1S/C22H22O7/c1-24-19-9-14(10-20(25-2)21(19)26-3)7-16-15(11-27-22(16)23)6-13-4-5-17-18(8-13)29-12-28-17/h4-5,7-10,15H,6,11-12H2,1-3H3/b16-7+/t15-/m0/s1
SMILES c1(c(c(cc(c1)/C=C/1\[C@H](COC1=O)Cc1ccc2c(c1)OCO2)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeNeoboutonia glabrescens Prain Ref.
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