input word = C00044146

Metabolite InformationStructural formula
Name Dieporeticanin 2
Formula C37H66O4
Mw 574.49611059
CAS RN 160525-56-4
C_ID C00044146 ,
InChIKey LGHYYUNGHFUVQP-UHFFFAOYNA-N
InChICode InChI=1S/C37H66O4/c1-3-4-5-6-7-17-20-23-26-33-35(40-33)28-29-36-34(41-36)27-24-21-18-15-13-11-9-8-10-12-14-16-19-22-25-32-30-31(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)CCCCCCCCCCCCCCCC[C@H]1O[C@@H]1CC[C@@H]1[C@H](O1)CCCCCCCCCC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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OrganismAnnona reticulata
ReferenceZafra-Polo,Phytochem.,48,(1998),1087