input word = C00044725

Metabolite InformationStructural formula
Name Divinatorin C
(-)-Divinatorin C
Formula C22H30O5
Mw 374.20932407
CAS RN 611228-06-9
C_ID C00044725 ,
InChIKey CSQRHRPGMJMXPY-XQZLSVHZNA-N
InChICode InChI=1S/C22H30O5/c1-15(23)27-14-17-8-11-22(3)18(20(24)25)5-4-6-19(22)21(17,2)10-7-16-9-12-26-13-16/h5,9,12-13,17,19H,4,6-8,10-11,14H2,1-3H3,(H,24,25)/t17-,19+,21+,22-/m0/s1
SMILES C1C=C([C@]2([C@H](C1)[C@@]([C@@H](CC2)COC(=O)C)(CCc1cocc1)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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