input word = C00045046

Metabolite InformationStructural formula
Name Rollicosin
(-)-Rollicosin
Formula C22H36O6
Mw 396.25118888
CAS RN 499238-51-6
C_ID C00045046 ,
InChIKey QCRUDDMRGHFGNR-UGBFSQDZNA-N
InChICode InChI=1S/C22H36O6/c1-16-14-17(22(26)27-16)15-18(23)10-8-6-4-2-3-5-7-9-11-19(24)20-12-13-21(25)28-20/h14,16,18-20,23-24H,2-13,15H2,1H3/t16-,18+,19+,20+/m0/s1
SMILES C1(=O)CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@@H](O)CC1=C[C@@H](OC1=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeRollinia mucosa Ref.
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OrganismRollinia mucosa
ReferenceLIaw,J.Nat.Prod.,66,(2003),279