input word = C00026436

Metabolite InformationStructural formula
Name Haplobine
Formula C18H18ClNO4
Mw 347.09243578
CAS RN 107783-37-9
C_ID C00026436 ,
InChIKey BZAWJJMWKWLUHE-WDZFZDKYSA-N
InChICode InChI=1S/C18H18ClNO4/c1-11(10-19)6-8-23-14-5-4-12-15(17(14)22-3)20-18-13(7-9-24-18)16(12)21-2/h4-7,9H,8,10H2,1-3H3/b11-6-
SMILES c12c(c(c3c(n1)occ3)OC)ccc(c2OC)OC/C=C(/C)\CCl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum obtusifolium Ref.
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