input word = C00057536

Metabolite InformationStructural formula
Name Retrocalamin
Formula C24H30O9
Mw 462.18898256
CAS RN 74729-98-9
C_ID C00057536
InChIKey HMNKPIJMXBZMJF-ZLOQDTKLSA-N
InChICode InChI=1S/C24H30O9/c1-21(15(26)9-16(27)30-4)10-13(25)17(28)23(3)14(21)5-7-22(2)18(12-6-8-31-11-12)32-20(29)19-24(22,23)33-19/h6,8,11,14-15,17-19,26,28H,5,7,9-10H2,1-4H3/t14-,15?,17?,18+,19-,21+,22+,23+,24-/m1/s1
SMILES COC(=O)CC(O)[C@@]1(C)CC(=O)C(O)[C@]2(C)[C@@H]1CC[C@@]1(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]312
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus reticulata Ref.
zoom in



OrganismCitrus reticulata
ReferenceBennett, R.D. et al., Tetrahedron, 1981, 37, 17