input word = C00012299

Metabolite InformationStructural formula
Name Arcotiopicrin
Orientin (sesquiterpene)
Formula C19H26O6
Mw 350.17293856
CAS RN 60485-60-1
C_ID C00012299 ,
InChIKey RJHSXEZOOUJAQE-RIYZIHGNNA-N
InChICode InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h8,13,15-17,20-21H,1,3-7,9-10H2,2H3/b14-8+/t13-,15+,16+,17-/m1/s1
SMILES [C@@H]12[C@@H](OC(=O)C1=C)/C=C(\CCC[C@H](C[C@@H]2OC(=O)C(=C)C)CO)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Siegesbeckia orientalis Ref.
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