input word = C00049644

Metabolite InformationStructural formula
Name Irlbacholine
Formula C32H70N2O8P2
Mw 672.46074021
CAS RN 156832-61-0
C_ID C00049644 ,
InChIKey BPPPAOPFARSKME-UHFFFAOYNA-N
InChICode InChI=1S/C32H72N2O8P2/c1-33(2,3)27-31-41-43(35,36)39-29-25-23-21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24-26-30-40-44(37,38)42-32-28-34(4,5)6/h7-32H2,1-6H3,(H,35,36)(H,37,38)
SMILES O([P@](=O)(O)OCCCCCCCCCCCCCCCCCCCCCCO[P@](=O)(O)OCC[N](C)(C)C)CC[N](C)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeGentianaceaeIrlbachia alata Ref.
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