input word = C00034484

Metabolite InformationStructural formula
Name Divinatorin B
(-)-Divinatorin B
Formula C21H30O5
Mw 362.20932407
CAS RN 611228-05-8
C_ID C00034484 ,
InChIKey ZCYNGZQSKJQXRJ-KEFOUSCKNA-N
InChICode InChI=1S/C21H30O5/c1-20(9-6-14-8-11-26-13-14)15(12-22)7-10-21(2)16(19(24)25-3)4-5-17(23)18(20)21/h4,8,11,13,15,17-18,22-23H,5-7,9-10,12H2,1-3H3/t15-,17-,18+,20-,21-/m0/s1
SMILES C1C=C([C@]2([C@H]([C@H]1O)[C@]([C@@H](CC2)CO)(CCc1cocc1)C)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia divinorum Ref.
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