input word = C00044212

Metabolite InformationStructural formula
Name Leonubiastrin
(+)-Leonubiastrin
Formula C23H28O7
Mw 416.18350325
CAS RN 211686-25-8
C_ID C00044212 ,
InChIKey ROWKODQLOIEBHL-WHGHTFTHNA-N
InChICode InChI=1S/C23H28O7/c1-11(2)13-9-14-17(15(25)10-13)22(4)8-7-16(26)23(5,21(28)29-6)20(22)19(18(14)27)30-12(3)24/h7-11,18-20,25,27H,1-6H3/t18-,19+,20+,22-,23-/m0/s1
SMILES COC(=O)[C@@]1(C)C(=O)C=C[C@]2(C)c3c(O)cc(C(C)C)cc3[C@H](O)[C@@H](OC(C)=O)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus marrubiastrum Ref.
PlantaeLabiataeLeonurus sibiricus Ref.
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