input word = C00041769

Metabolite InformationStructural formula
Name Plagionicin B
Formula C35H62O7
Mw 594.44955433
CAS RN 913969-35-4
C_ID C00041769 ,
InChIKey KCAXYJVUOXXZQC-UHFFFAOYNA-N
InChICode InChI=1S/C35H62O7/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/h26-27,30-34,37-39H,3-25H2,1-2H3/t27-,30+,31-,32-,33+,34+/m1/s1
SMILES [C@H]1(CC[C@H](O1)[C@@H](CCCCCCCCCCCC)O)[C@@H](CCCCC(=O)CCCC[C@@H](CCC1=C[C@H](OC1=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeDisepalum plagioneurum Ref.
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