input word = C00027501

Metabolite InformationStructural formula
Name Vateamine 2'beta-N-oxide
Formula C38H44N2O9
Mw 672.30468102
CAS RN 178765-70-3
C_ID C00027501 ,
InChIKey OUTRDKRDCDOWND-UHFFFAOYNA-N
InChICode InChI=1S/C38H44N2O9/c1-39-13-11-23-18-34(47-5)30(41)20-26(23)28(39)17-25-8-10-33(46-4)37(43)38(25)49-36-16-22(7-9-32(36)45-3)15-29-27-21-31(42)35(48-6)19-24(27)12-14-40(29,2)44/h7-10,16,18-21,28-29,41-43H,11-15,17H2,1-6H3/t28-,29+,40-/m0/s1
SMILES COc1cc2c(cc1O)C(Cc1ccc(OC)c(O)c1Oc1cc(CC3c4cc(O)c(OC)cc4CC[N+]3(C)[O-])ccc1OC)N(C)CC2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeHernandiaceaeHernandia nymphaefolia Ref.
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