input word = C00043919

Metabolite InformationStructural formula
Name Sibiricinone C
(+)-Sibiricinone C
Formula C21H32O6
Mw 380.21988875
CAS RN 680618-61-5
C_ID C00043919 ,
InChIKey UEHATVMLPFUSJH-CWXKDPMDNA-N
InChICode InChI=1S/C21H32O6/c1-12-15(22)16(23)17-19(2,3)8-6-9-20(17,4)21(12,25)10-7-13-11-14(26-5)27-18(13)24/h11-12,14,16-17,23,25H,6-10H2,1-5H3/t12-,14-,16-,17+,20+,21-/m1/s1
SMILES [C@H]1(C(=O)[C@H]([C@@H]2[C@@]([C@]1(CCC1=C[C@@H](OC1=O)OC)O)(CCCC2(C)C)C)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeonurus sibiricus Ref.
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