input word = C00056996

Metabolite InformationStructural formula
Name Monardin A
Formula C19H26O9
Mw 398.15768243
CAS RN 1262796-91-7
C_ID C00056996
InChIKey LAMJMIIVMNYUJU-LQDZTQBFSA-N
InChICode InChI=1S/C19H26O9/c1-9(2)11-5-4-10(3)12(6-11)27-19-18(25)17(24)16(23)13(28-19)8-26-15(22)7-14(20)21/h4-6,9,13,16-19,23-25H,7-8H2,1-3H3,(H,20,21)/t13-,16-,17+,18-,19-/m1/s1
SMILES Cc1ccc(C(C)C)cc1O[C@@H]1O[C@H](COC(=O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMonarda punctata Ref.
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