input word = C00038423

Metabolite InformationStructural formula
Name Alvaradoin J
(-)-Alvaradoin J
Formula C27H28O11
Mw 528.16316174
CAS RN 872702-67-5
C_ID C00038423 ,
InChIKey CWTBVTWONZDFAF-ULNWYOGUNA-N
InChICode InChI=1S/C27H28O11/c1-11(2)8-18(31)37-24-22(33)25(38-26(23(24)34)36-13(4)28)27(35)14-6-5-7-16(29)19(14)21(32)20-15(27)9-12(3)10-17(20)30/h5-10,22-26,29-30,33-35H,1-4H3/t22-,23-,24-,25-,26-,27+/m1/s1
SMILES CC(=O)O[C@@H]1O[C@@H]([C@]2(O)c3cccc(O)c3C(=O)c3c(O)cc(C)cc32)[C@H](O)[C@@H](OC(=O)C=C(C)C)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePicramniaceaeAlvaradoa haitiensis Ref.
zoom in