input word = C00013197

Metabolite InformationStructural formula
Name Ivangulinic acid
[3aR-[3aalpha,5(S*),7aalpha]]-2,3,3a,4,7,7a-Hexahydro-gamma,6-dimethyl-3-methylene-2-oxo-5-benzofuranbutanoic acid
Formula C15H20O4
Mw 264.13615913
CAS RN 73971-64-9
C_ID C00013197 ,
InChIKey NZCCWMOWKXLGCL-YPMYHCCLNA-N
InChICode InChI=1S/C15H20O4/c1-8(4-5-14(16)17)11-7-12-10(3)15(18)19-13(12)6-9(11)2/h8,12-13H,3-7H2,1-2H3,(H,16,17)/t8-,12+,13+/m0/s1
SMILES C(C[C@H](C)C1=C(C[C@@H]2[C@H](C1)C(=C)C(=O)O2)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGnephosis arachnoidea Ref.
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