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@@]12(C[C@@H]([C@@H]3[C@H](/C=C(\[C@H](C[C@@H]1O2)OC(=O)C)/C)OC(=O)C3=C)OC(=O)C(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTithonia tagitiflora Ref.
PlantaeAsteraceaeViguiera stenoloba Ref.
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