input word = C00023506

Metabolite InformationStructural formula
Name Patagonic acid (diterpene)
Formula C20H28O4
Mw 332.19875938
CAS RN 114020-67-6
C_ID C00023506 ,
InChIKey WUUOACSBQPHDQM-JHWHDDQFNA-N
InChICode InChI=1S/C20H28O4/c1-13-7-10-20(3)15(17(21)22)5-4-6-16(20)19(13,2)11-8-14-9-12-24-18(14)23/h5,9,13,16H,4,6-8,10-12H2,1-3H3,(H,21,22)/t13-,16-,19+,20+/m1/s1
SMILES C1C=C([C@]2([C@H](C1)[C@]([C@@H](CC2)C)(CCC1=CCOC1=O)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis patagonica Ref.
PlantaeAsteraceaeGrangea maderaspatana Ref.
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