input word = C00011869

Metabolite InformationStructural formula
Name Viguiestin
Formula C21H28O7
Mw 392.18350325
CAS RN 69440-10-4
C_ID C00011869 ,
InChIKey VDPIGPWXCXCBKE-CHEHALEXNA-N
InChICode InChI=1S/C21H28O7/c1-10(2)19(23)27-16-9-21(6)17(28-21)8-14(25-13(5)22)11(3)7-15-18(16)12(4)20(24)26-15/h7,10,14-18H,4,8-9H2,1-3,5-6H3/b11-7-/t14-,15-,16-,17-,18-,21-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](OC(C)=O)C[C@@H]3O[C@@]3(C)C[C@H](OC(=O)C(C)C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia tagitiflora Ref.
PlantaeAsteraceaeViguiera stenoloba Ref.
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OrganismViguiera stenoloba
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)