input word = C00052084

Metabolite InformationStructural formula
Name (+)-Neoacutifolin
Formula C16H17NO3
Mw 271.12084342
CAS RN 145237-09-8
C_ID C00052084
InChIKey MHPPNTXKFWUDIA-UHFFFAOYSA-N
InChICode InChI=1S/C40H43NO9/c1-12-38(3,4)22-16-20-33(44)27-21(18-40(7,8)50-36(27)29(39(5,6)13-2)34(20)49-37(22)45)26-25(47-10)17-23(42)28-31(26)41-30-19(32(28)43)14-15-24(46-9)35(30)48-11/h12-17,21,42,44H,1-2,18H2,3-11H3,(H,41,43)
SMILES C=CC(C)(C)c1cc2c(O)c3c(c(C(C)(C)C=C)c2oc1=O)OC(C)(C)CC3c1c(OC)cc(O)c2c(=O)c3ccc(OC)c(OC)c3[nH]c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum acutifolium Ref.
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