input word = C00031970

Metabolite InformationStructural formula
Name Leoheteronone E
Formula C22H34O6
Mw 394.23553882
CAS RN 875770-82-4
C_ID C00031970 ,
InChIKey PYWYXDQVIHVOOS-IGVKWMPZNA-N
InChICode InChI=1S/C22H34O6/c1-14(23)27-20(5)16(24)11-15-18(2,3)7-6-8-19(15,4)22(20)10-9-21(28-22)12-17(25)26-13-21/h15,17,25H,6-13H2,1-5H3/t15-,17+,19-,20-,21-,22-/m0/s1
SMILES CC(=O)O[C@@]1(C)C(=O)C[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@]1(CO[C@@H](O)C1)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus heterophyllus SW. Ref.
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