input word = C00044209

Metabolite InformationStructural formula
Name Jetein
Formula C35H66O7
Mw 598.48085446
CAS RN 139294-55-6
C_ID C00044209 ,
InChIKey BQIZTMIRSIOPPW-ADCWYCTDNA-N
InChICode InChI=1S/C35H66O7/c1-3-4-5-6-7-8-9-10-14-17-23-30(37)32-25-26-33(42-32)31(38)24-19-18-21-28(36)20-15-12-11-13-16-22-29-34(39)27(2)41-35(29)40/h27-34,36-39H,3-26H2,1-2H3/t27-,28-,29-,30-,31-,32+,33+,34-/m0/s1
SMILES O1[C@H]([C@@H]([C@@H](C1=O)CCCCCCC[C@@H](CCCC[C@H](O)[C@H]1CC[C@@H](O1)[C@H](CCCCCCCCCCCC)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona cherimolia Ref.
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