input word = C00064496

Metabolite InformationStructural formula
Name Coromandaline
Formula C15H27NO4
Mw 285.19400836
CAS RN 68473-86-9
C_ID C00064496
InChIKey BWQSLRZZOVFVHJ-UKTARXLSSA-N
InChICode InChI=1S/C15H27NO4/c1-10(2)15(19,11(3)17)14(18)20-9-12-6-8-16-7-4-5-13(12)16/h10-13,17,19H,4-9H2,1-3H3/t11-,12+,13+,15-/m1/s1
SMILES CC(C)C(O)(C(=O)OCC1CCN2CCCC12)C(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBoraginaceaeHeliotropium curassavicum Ref.
PlantaeBoraginaceaeHeliotropium spathulatum Ref.
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