input word = C00041768

Metabolite InformationStructural formula
Name Plagionicin A
(+)-Plagionicin A
Formula C35H64O7
Mw 596.4652044
CAS RN 161099-45-2
C_ID C00041768 ,
InChIKey CXGJYQUHSPDSCC-WKGMCFTQNA-N
InChICode InChI=1S/C35H64O7/c1-3-4-5-6-7-8-9-10-11-12-20-31(38)33-24-25-34(42-33)32(39)21-16-15-18-29(36)17-13-14-19-30(37)23-22-28-26-27(2)41-35(28)40/h26-27,29-34,36-39H,3-25H2,1-2H3/t27-,29+,30+,31+,32+,33+,34+/m0/s1
SMILES [C@@H]1(CC[C@@H](O1)[C@@H](CCCCCCCCCCCC)O)[C@@H](CCCC[C@@H](CCCC[C@H](CCC1=C[C@@H](OC1=O)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDisepalum plagioneurum Ref.
PlantaeAnnonaceaePolyalthia plagioneura Ref.
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