input word = C00044291

Metabolite InformationStructural formula
Name Reticulacinone
Formula C35H62O7
Mw 594.44955433
CAS RN 155709-42-5
C_ID C00044291 ,
InChIKey VYMYUDBNVNOBII-UHFFFAOYNA-N
InChICode InChI=1S/C35H62O7/c1-3-4-5-6-7-8-9-10-11-16-21-31(38)33-23-24-34(42-33)32(39)22-17-20-29(36)18-14-12-13-15-19-30(37)26-28-25-27(2)41-35(28)40/h25,27,30-34,37-39H,3-24,26H2,1-2H3/t27-,30+,31-,32+,33-,34-/m0/s1
SMILES CCCCCCCCCCCC[C@H](O)[C@@H]1CC[C@H](O1)[C@H](O)CCCC(=O)CCCCCC[C@@H](O)CC1=C[C@@H](OC1=O)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