input word = C00021162

Metabolite InformationStructural formula
Name Desacetyltetraneurin D 4-O-isobutyrate
Formula C19H28O6
Mw 352.18858863
CAS RN 109314-16-1
C_ID C00021162 ,
InChIKey YAQZXHLVANZHGK-AQRGHJPVNA-N
InChICode InChI=1S/C19H28O6/c1-10(2)16(21)24-14-7-8-19(23)11(3)5-6-13-12(4)17(22)25-15(13)18(14,19)9-20/h10-11,13-15,20,23H,4-9H2,1-3H3/t11-,13-,14-,15+,18-,19+/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(C)C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium lozanianum Ref.
zoom in