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=C1C(=O)O[C@@H]2[C@H]1CC[C@H](C)[C@]1(O)CC[C@H](OC(=O)C(C)C)[C@@]21CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium lozanianum Ref.
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