input word = C00010617

Metabolite InformationStructural formula
Name Boonein
Formula C9H14O3
Mw 170.09429431
CAS RN 85502-19-8
C_ID C00010617 ,
InChIKey WJMOFJJTTHNUOH-LURUIAEKNA-N
InChICode InChI=1S/C9H14O3/c1-5-7(10)4-6-2-3-12-9(11)8(5)6/h5-8,10H,2-4H2,1H3/t5-,6-,7-,8-/m0/s1
SMILES [C@H]12[C@@H](C(=O)OCC1)[C@H]([C@H](C2)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia boonei Ref.
PlantaeGentianaceaeSwertia japonica Ref.
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