input word = C00021163

Metabolite InformationStructural formula
Name 15-Desacetyltetraneurin C isobutyrate
Formula C21H30O7
Mw 394.19915331
CAS RN 109291-66-9
C_ID C00021163 ,
InChIKey YGUNSJAZYOMRKV-XDJDTMNXNA-N
InChICode InChI=1S/C21H30O7/c1-11(2)18(23)26-10-20-16(27-14(5)22)8-9-21(20,25)12(3)6-7-15-13(4)19(24)28-17(15)20/h11-12,15-17,25H,4,6-10H2,1-3,5H3/t12-,15-,16-,17+,20-,21+/m0/s1
SMILES [C@]12([C@]([C@H]3[C@@H](CC[C@@H]1C)C(=C)C(=O)O3)([C@H](CC2)OC(=O)C)COC(=O)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium lozanianum Ref.
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