input word = C00027593

Metabolite InformationStructural formula
Name Simulansamide
Formula C22H23NO6
Mw 397.15253747
CAS RN 176713-29-4
C_ID C00027593 ,
InChIKey QNIQCCMVUPVMMU-UHFFFAOYSA-N
InChICode InChI=1S/C22H23NO6/c1-23(12-24)20-14(15-8-9-17(26-2)22(29-5)21(15)25)7-6-13-10-18(27-3)19(28-4)11-16(13)20/h6-12,25H,1-5H3
SMILES c1(c(cc2c(c1)ccc(c2N(C)C=O)c1ccc(c(c1O)OC)OC)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum simulans Ref.
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