input word = C00056028

Metabolite InformationStructural formula
Name Oleandrine
Formula C32H48O9
Mw 576.32983313
CAS RN 465-16-7
C_ID C00056028
InChIKey JLPDBLFIVFSOCC-XYXFTTADSA-N
InChICode InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
SMILES C[C@H]1[C@H](O)[C@@H](OC)C[C@H](O[C@H](C[C@@]2([H])CC[C@]3([H])[C@]4([H])CC[C@@]5([C@@]([C@@H](OC(C)=O)C[C@]35O)([H])C(CO6)=CC6=O)C)CC[C@@]24C)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeNerium oleander Ref.
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