input word = C00047718

Metabolite InformationStructural formula
Name Ambiguine
Formula C28H45NO8
Mw 523.31451742
CAS RN 68388-52-3
C_ID C00047718 ,
InChIKey YQXKBDFBVHGSOM-UHFFFAOYNA-N
InChICode InChI=1S/C28H45NO8/c1-8-29-13-25(14-32-3)10-9-19(34-5)27-17-11-16-18(33-4)12-26(36-7,20(17)21(16)37-15(2)30)28(31,24(27)29)23(35-6)22(25)27/h16-24,31H,8-14H2,1-7H3/t16-,17-,18+,19+,20-,21-,22-,23-,24+,25+,26-,27+,28-/m1/s1
SMILES [C@]12([C@@H]3[C@@]4([C@H]([C@H]1OC)[C@](CN3CC)(CC[C@@H]4OC)COC)[C@H]1[C@H]3[C@@]2(C[C@@H]([C@H]([C@H]3OC(=O)C)C1)OC)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Secologanin Cholesterol
Organism
Kingdom Family Species Reference
--Fischerella ambigua Ref.
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