input word = C00003632

Metabolite InformationStructural formula
Name 17beta-Neriifolin
Neriifolin
Formula C30H46O8
Mw 534.31926845
CAS RN 466-07-9
C_ID C00003632 ,
InChIKey VPUNMTHWNSJUOG-UQTKBMNYNA-N
InChICode InChI=1S/C30H46O8/c1-16-24(32)26(35-4)25(33)27(37-16)38-19-7-10-28(2)18(14-19)5-6-22-21(28)8-11-29(3)20(9-12-30(22,29)34)17-13-23(31)36-15-17/h13,16,18-22,24-27,32-34H,5-12,14-15H2,1-4H3/t16-,18+,19-,20+,21-,22+,24-,25+,26-,27+,28-,29+,30-/m0/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H](CC2)C1=CC(=O)OC1)C)O)C)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera adollam Ref.
PlantaeApocynaceaeCerbera manghas L. Ref.
PlantaeApocynaceaeCerbera odollam Ref.
PlantaeApocynaceaeThevetia neriifolia Ref.
PlantaeApocynaceaeThevetia peruviana Ref.
PlantaeApocynaceaeThevetia thevetioides Ref.
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OrganismThevetia peruviana
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter55