input word = C00050656

Metabolite InformationStructural formula
Name 2,4-trans-Isoannonareticin
Formula C41H70O9
Mw 706.50198383
CAS RN 209264-49-3
C_ID C00050656
InChIKey VAFJUECWFWHTBT-CJVKYHFKNA-N
InChICode InChI=1S/C41H70O9/c1-5-6-7-8-9-13-16-19-22-35(46-31(3)43)37-24-26-39(49-37)40-27-25-38(50-40)36(47-32(4)44)23-20-17-14-11-10-12-15-18-21-34-29-33(28-30(2)42)41(45)48-34/h33-40H,5-29H2,1-4H3/t33-,34-,35+,36-,37-,38-,39-,40-/m1/s1
SMILES CCCCCCCCCC[C@H](OC(C)=O)[C@H]1CC[C@H]([C@H]2CC[C@H]([C@@H](CCCCCCCCCCC3C[C@@H](CC(C)=O)C(=O)O3)OC(C)=O)O2)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona reticulata Ref.
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OrganismAnnona reticulata
ReferenceLiu, et al., Natural Product Research and Development(Tianran Chanwu Yanjiu Yu Kaifa), 10, (1998), 1