input word = C00027993

Metabolite InformationStructural formula
Name Buxasamarine
Formula C27H46N2O
Mw 414.3610141
CAS RN 194852-54-5
C_ID C00027993 ,
InChIKey RFIGBNKPBPAHJJ-AFVNSLOYNA-N
InChICode InChI=1S/C27H46N2O/c1-17(28-6)22-18(30)15-25(5)20-10-9-19-23(2,3)21(29(7)8)11-12-26(19)16-27(20,26)14-13-24(22,25)4/h11-12,17-22,28,30H,9-10,13-16H2,1-8H3/t17-,18+,19-,20-,21-,22-,24+,25-,26-,27+/m0/s1
SMILES CN[C@@H](C)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](N(C)C)C=CC45C[C@]35CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction) Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus longifolia Boiss Ref.
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