input word = C00050513

Metabolite InformationStructural formula
Name 3,4-Dihydro-methylcatalpol
Formula C16H26O10
Mw 378.15259705
CAS RN 848763-22-4
C_ID C00050513
InChIKey JQTHDOYIZIIRDJ-GSKJLTDHSA-N
InChICode InChI=1S/C16H26O10/c1-22-12-6-2-3-23-14(8(6)16(5-18)13(12)26-16)25-15-11(21)10(20)9(19)7(4-17)24-15/h6-15,17-21H,2-5H2,1H3/t6-,7-,8-,9-,10+,11-,12+,13+,14+,15+,16-/m1/s1
SMILES CO[C@H]1[C@@H]2CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeScrophulariaceaeScrophularia lepidota Ref.
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