input word = C00028796

Metabolite InformationStructural formula
Name Panganensine S
(+)-Panganensine S
Formula C38H44N4O2
Mw 588.34642668
CAS RN 182969-74-0
C_ID C00028796 ,
InChIKey FMNWIRPKXNZZBL-OREMDAPLNA-N
InChICode InChI=1S/C38H44N4O2/c1-21-34-24-17-33-38(28-7-3-5-9-30(28)40-36(38)26(24)20-44-21)13-15-42(33)31(34)11-10-22-18-41-14-12-37-27-6-2-4-8-29(27)39-35(37)25(19-43)23(22)16-32(37)41/h2-11,18,21,23-26,31-36,39-40,43H,12-17,19-20H2,1H3/b11-10+/t21-,23-,24-,25+,26+,31-,32-,33-,34-,35-,36-,37+,38+/m0/s1
SMILES [C@]123[C@H]([C@H]4[C@@H]5C[C@@H]1N(CC3)[C@H]([C@H]5[C@@H](OC4)C)/C=C/C1=CN3[C@@H]4[C@@]5([C@H]([C@@H]([C@H]1C4)CO)Nc1c5cccc1)CC3)Nc1c2cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos panganensis Ref.
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