input word = C00003599

Metabolite InformationStructural formula
Name Adonitoxin
Formula C29H42O10
Mw 550.27779756
CAS RN 17651-61-5
C_ID C00003599 ,
InChIKey ARANEVHRNOGYRH-NIHQMLDENA-N
InChICode InChI=1S/C29H42O10/c1-14-23(33)24(34)25(35)26(38-14)39-17-5-8-28(13-30)16(10-17)3-4-19-18(28)6-7-27(2)22(15-9-21(32)37-12-15)20(31)11-29(19,27)36/h9,13-14,16-20,22-26,31,33-36H,3-8,10-12H2,1-2H3/t14-,16-,17+,18+,19-,20+,22+,23+,24+,25-,26-,27-,28-,29+/m1/s1
SMILES C1[C@@H](C[C@@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@](CC1)([C@H]([C@H](C2)O)C1=CC(=O)OC1)C)O)C=O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAdonis aestivalis Ref.
PlantaeRanunculaceaeAdonis amurensis Ref.
PlantaeRanunculaceaeAdonis mongolica Ref.
PlantaeRanunculaceaeAdonis vernalis Ref.
PlantaeRanunculaceaeAdonis wolgensis Ref.
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