input word = C00031969

Metabolite InformationStructural formula
Name Leoheteronone D
Formula C20H32O4
Mw 336.23005951
CAS RN 875770-81-3
C_ID C00031969 ,
InChIKey GJCMFIRSMWNKEA-LUOGAHJQNA-N
InChICode InChI=1S/C20H32O4/c1-13-14(21)10-15-17(2,3)6-5-7-18(15,4)20(13)9-8-19(24-20)11-16(22)23-12-19/h13,15-16,22H,5-12H2,1-4H3/t13-,15+,16-,18+,19+,20-/m1/s1
SMILES C[C@@H]1C(=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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