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 C=C1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]12CO[C@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeIsodon parvifolius Ref.
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