input word = C00025902

Metabolite InformationStructural formula
Name Insularine 2beta-N-oxide
Formula C38H40N2O7
Mw 636.28355165
CAS RN 153321-63-2
C_ID C00025902 ,
InChIKey DAFGPYIDXUGEMR-SYLQWSPDNA-N
InChICode InChI=1S/C38H40N2O7/c1-39-14-12-24-19-32(43-4)36-37-33(24)28(39)17-22-6-9-27(10-7-22)46-38-34-25(20-31(42-3)35(38)44-5)13-15-40(2,41)29(34)18-23-8-11-30(47-37)26(16-23)21-45-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-,40-/m1/s1
SMILES COc1cc2c3c4c1OCc1cc(ccc1O4)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(C)CC2)CC[N+]1(C)[O-]
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCyclea sutchuenensis Gagnep. Ref.
zoom in