input word = C00011998

Metabolite InformationStructural formula
Name [3aR-[3aalpha,4beta(Z),6alpha,7beta,7abeta]]-6-Ethenyloctahydro-6-methyl-a,3-bis(methylene)-4-[(2-methyl-1-oxo-2-butenyl)oxy]-2-oxo-7-benzofuranacetic acid
Formula C20H24O6
Mw 360.1572885
CAS RN 90039-38-6
C_ID C00011998 ,
InChIKey LTXDJOCJYDKONK-AMDGXBKYNA-N
InChICode InChI=1S/C20H24O6/c1-7-10(3)18(23)25-13-9-20(6,8-2)15(12(5)17(21)22)16-14(13)11(4)19(24)26-16/h7-8,13-16H,2,4-5,9H2,1,3,6H3,(H,21,22)/b10-7-/t13-,14-,15-,16+,20-/m1/s1
SMILES C=C[C@]1(C)C[C@@H](OC(=O)/C(C)=CC)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCronquistianthus chachapoyensis Ref.
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