input word = C00048396

Metabolite InformationStructural formula
Name Haplacutine A
Formula C18H21NO2
Mw 283.15722892
CAS RN 1185855-63-3
C_ID C00048396 ,
InChIKey UPZZBIGJSKRXQV-YVCTXXAJNA-N
InChICode InChI=1S/C18H21NO2/c1-2-15(20)10-6-4-3-5-9-14-13-18(21)16-11-7-8-12-17(16)19-14/h3-4,6-8,10-13,15,20H,2,5,9H2,1H3,(H,19,21)/b4-3-,10-6-/t15-/m0/s1
SMILES c12c(c(=O)cc([nH]1)CC/C=C\C=C/[C@@H](O)CC)cccc2
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum acutifolium Ref.
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OrganismHaplophyllum acutifolium
ReferenceStaerk,Phytochem.,70,(2009),1055