input word = C00057247

Metabolite InformationStructural formula
Name 15-Oleoylsolamin
Formula C53H96O6
Mw 828.7206908
CAS RN 213313-62-3
C_ID C00057247
InChIKey CYNQUXCKSVIOBA-RIBPTUTASA-N
InChICode InChI=1S/C53H96O6/c1-4-6-8-10-12-14-16-17-18-19-20-26-30-34-38-42-52(55)59-50(41-37-33-29-25-22-21-23-27-31-35-39-47-45-46(3)57-53(47)56)51-44-43-49(58-51)48(54)40-36-32-28-24-15-13-11-9-7-5-2/h17-18,45-46,48-51,54H,4-16,19-44H2,1-3H3/b18-17-/t46-,48+,49+,50+,51+/m0/s1
SMILES CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC1=C[C@H](C)OC1=O)[C@H]1CC[C@H]([C@H](O)CCCCCCCCCCCC)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeAnnona muricata Ref.
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OrganismAnnona muricata
ReferenceMcCloud, T.G. et al., Experientia, 1987, 43, 947-949 (Annonacin)