input word = C00035466

Metabolite InformationStructural formula
Name 17alpha-Neriifolin
Formula C30H46O8
Mw 534.31926845
CAS RN 7044-31-7
C_ID C00035466 ,
InChIKey VPUNMTHWNSJUOG-MTOQFVQHNA-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]1O[C@H]([C@@H]([C@H]([C@@H]1O)OC)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera adollam Ref.
PlantaeApocynaceaeCerbera odollam Ref.
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