input word = C00047210

Metabolite InformationStructural formula
Name Cyclobuxoxazine
Formula C27H46N2O2
Mw 430.35592873
CAS RN 3294-83-5
C_ID C00047210 ,
InChIKey PYUKAYSOPGHAEP-UHFFFAOYNA-N
InChICode InChI=1S/C27H46N2O2/c1-17(29(5)6)22-18(30)13-25(4)20-8-7-19-23(2)15-31-16-28-21(23)9-10-26(19)14-27(20,26)12-11-24(22,25)3/h17-22,28,30H,7-16H2,1-6H3/t17-,18+,19+,20+,21-,22+,23+,24+,25+,26+,27-/m0/s1
SMILES C1[C@]2([C@@H](NCO1)CC[C@@]13[C@@H]2CC[C@H]2[C@]1(CC[C@]1([C@@]2(C[C@H]([C@H]1[C@@H](N(C)C)C)O)C)C)C3)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Asp Cholesterol
Organism
Kingdom Family Species Reference
PlantaeBuxaceaeBuxus microphylla Sieb.et Zucc. Ref.
PlantaeBuxaceaeBuxus microphylla Sieb.et Zucc.var.suffruticosa Mak. Ref.
PlantaeBuxaceaeBuxus nicrophylla Ref.
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