input word = C00044145

Metabolite InformationStructural formula
Name Dieporeticanin 1
Formula C37H66O4
Mw 574.49611059
CAS RN 160525-55-3
C_ID C00044145 ,
InChIKey OBCKVMRECYITHK-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O4/c1-3-4-5-6-7-8-14-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-12-10-9-11-13-16-19-22-25-32-30-31(2)39-37(32)38/h30-31,33-36H,3-29H2,1-2H3/t31-,33+,34+,35+,36+/m1/s1
SMILES [C@H]1(C=C(C(=O)O1)CCCCCCCCCCCCCC[C@@H]1O[C@H]1CC[C@H]1[C@@H](O1)CCCCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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