input word = C00041514

Metabolite InformationStructural formula
Name Effusanin B
Formula C22H30O6
Mw 390.20423869
CAS RN 76470-16-1
C_ID C00041514 ,
InChIKey TZECSBJPAFKEQJ-MUNACKPINA-N
InChICode InChI=1S/C22H30O6/c1-11-13-5-6-14-20-10-27-22(26,21(14,9-13)17(11)24)18(25)16(20)19(3,4)8-7-15(20)28-12(2)23/h13-16,18,25-26H,1,5-10H2,2-4H3/t13-,14+,15+,16-,18+,20-,21+,22-/m1/s1
SMILES C1CC([C@@H]2[C@@]3([C@H]1OC(=O)C)[C@H]1[C@]4([C@@]([C@H]2O)(OC3)O)C(=O)C(=C)[C@H](CC1)C4)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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