input word = C00028797

Metabolite InformationStructural formula
Name Panganensine X
Formula C38H46N4O2
Mw 590.36207674
CAS RN 182745-08-0
C_ID C00028797 ,
InChIKey GJYRKYFELCXWRD-WIXLWLJMNA-N
InChICode InChI=1S/C38H46N4O2/c1-3-22-17-41-12-11-38-30-14-23(8-9-32(30)40-35(38)27(19-43)24(22)15-33(38)41)21(2)26-18-42-13-10-37-29-6-4-5-7-31(29)39-36(37)28(20-44)25(26)16-34(37)42/h3-9,14,18,21,24-25,27-28,33-36,39-40,43-44H,10-13,15-17,19-20H2,1-2H3/b22-3-/t21-,24?,25+,27-,28+,33+,34+,35+,36+,37-,38-/m1/s1
SMILES [C@]123[C@H]([C@@H]([C@H]4C[C@@H]1N(CC3)C/C/4=C/C)CO)Nc1c2cc(cc1)[C@H](C1=CN2[C@@H]3[C@@]4([C@H]([C@H]([C@H]1C3)CO)Nc1c4cccc1)CC2)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos panganensis Ref.
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