input word = C00028392

Metabolite InformationStructural formula
Name Isoalfileramine
Formula C30H42N2O2
Mw 462.3246286
CAS RN 73326-86-0
C_ID C00028392 ,
InChIKey XASZHQNADXWANO-IOOSWFRQNA-N
InChICode InChI=1S/C30H42N2O2/c1-29(2)28-24(22-16-20(12-14-31(4)5)8-10-26(22)33-29)18-30(3)19-25(28)23-17-21(13-15-32(6)7)9-11-27(23)34-30/h8-11,16-17,24-25,28H,12-15,18-19H2,1-7H3/t24-,25-,28+,30-/m1/s1
SMILES CN(C)CCc1ccc2c(c1)[C@H]1C[C@@]3(C)C[C@H](c4cc(CCN(C)C)ccc4O3)[C@@H]1C(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeZanthoxylum chiriquinum Ref.
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