input word = C00022266

Metabolite InformationStructural formula
Name Peregrinin
Formula C20H26O5
Mw 346.17802394
CAS RN 19898-90-9
C_ID C00022266 ,
InChIKey NMTGXAKMAWZRIF-ATGAXQFWNA-N
InChICode InChI=1S/C20H26O5/c1-12-10-14-16-18(2,7-5-15(21)19(16,3)17(22)25-14)20(12,23)8-4-13-6-9-24-11-13/h6,9,11-12,14,16,23H,4-5,7-8,10H2,1-3H3/t12-,14-,16-,18+,19+,20-/m1/s1
SMILES C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)C(=O)CC[C@@](C)([C@@H]23)[C@@]1(O)CCc1ccoc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeMarrubium peregrinum Ref.
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