input word = C00022709

Metabolite InformationStructural formula
Name Agathalic acid
Formula C20H30O3
Mw 318.21949482
CAS RN 19605-75-5
C_ID C00022709 ,
InChIKey SNMGJTHIWYSOSX-GNGDGWKINA-N
InChICode InChI=1S/C20H30O3/c1-14(12-18(22)23)6-8-16-15(2)7-9-17-19(3,13-21)10-5-11-20(16,17)4/h12-13,16-17H,2,5-11H2,1,3-4H3,(H,22,23)/b14-12+/t16-,17+,19+,20+/m0/s1
SMILES C1C[C@]([C@@H]2[C@](C1)([C@H](C(=C)CC2)CC/C(=C/C(=O)O)/C)C)(C)C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraucariaceaeAgathis australis Ref.
PlantaeAraucariaceaeAgathis robusta Ref.
PlantaeAraucariaceaeAgathis spp. Ref.
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OrganismAgathis spp.
ReferenceCarman,Aust. J. Chem.,21,(1968),1923