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 C1=C[C@@]2([C@H]([C@](C1=O)(C(=O)OC)C)[C@@H]([C@H](c1c2c(cc(c1)C(C)C)O)O)OC(=O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus marrubiastrum Ref.
PlantaeLabiataeLeonurus sibiricus Ref.
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OrganismLeonurus marrubiastrum
ReferenceMalakov,Phytochem.,48,(1998),557