input word = C00057269

Metabolite InformationStructural formula
Name Neocycasin G
Formula C20H36N2O17
Mw 576.20139774
CAS RN 2288-28-0
C_ID C00057269
InChIKey STHHNNUYQQUJGY-QFUWYGNTSA-N
InChICode InChI=1S/C20H36N2O17/c1-22(33)21-5-35-19-16(32)17(11(27)7(3-24)37-19)39-20-15(31)13(29)10(26)8(38-20)4-34-18-14(30)12(28)9(25)6(2-23)36-18/h6-20,23-32H,2-5H2,1H3/b22-21-/t6-,7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17+,18-,19-,20+/m1/s1
SMILES OC[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)O2)[C@@H](O)[C@H](OCN=N(C)=O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCycadaceaeCycas circinalis Ref.
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