input word = C00040453

Metabolite InformationStructural formula
Name Tauranin
Formula C22H30O4
Mw 358.21440945
CAS RN 6752-85-8
C_ID C00040453 ,
InChIKey KNEPVLLGXUSFJS-GUTJFPPPNA-N
InChICode InChI=1S/C22H30O4/c1-13-6-7-18-21(2,3)8-5-9-22(18,4)16(13)11-15-17(24)10-14(12-23)19(25)20(15)26/h10,16,18,23,26H,1,5-9,11-12H2,2-4H3/t16-,18-,22-/m1/s1
SMILES C=C1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@@H]1CC1=C(O)C(=O)C(CO)=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiBotryosphaeriaceaePhyllosticta spinarum Ref.
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