input word = C00049744

Metabolite InformationStructural formula
Name Rollimusin
(-)-Rollimusin
Formula C37H66O8
Mw 638.47576908
CAS RN 252210-57-4
C_ID C00049744 ,
InChIKey AFKUAQRKQMVATG-UCGVTQJENA-N
InChICode InChI=1S/C37H66O8/c1-3-4-5-10-16-30(39)19-14-21-32(41)34-23-25-36(45-34)35-24-22-33(44-35)31(40)20-13-12-18-29(38)17-11-8-6-7-9-15-28-26-27(2)43-37(28)42/h26-27,29-36,38-41H,3-25H2,1-2H3/t27-,29+,30+,31-,32+,33-,34-,35-,36-/m1/s1
SMILES C1[C@@H](O[C@H](C1)[C@H]1CC[C@@H](O1)[C@@H](CCCC[C@H](CCCCCCCC1=C[C@H](OC1=O)C)O)O)[C@H](CCC[C@H](CCCCCC)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
PlantaeAnnonaceaeRollinia mucosa Ref.
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OrganismAnnona muricata
ReferenceChang, et al., Planta Med, 69, (2003), 241