input word = C00027686

Metabolite InformationStructural formula
Name 14-O-Acetylneoline
Bullatine B
Formula C26H41NO7
Mw 479.28830267
CAS RN 1354-86-5
C_ID C00027686 ,
InChIKey QATQZHZBTQBUFQ-XVLVFADQNA-N
InChICode InChI=1S/C29H39NO8/c1-7-12(2)24(35)37-17-10-28-20-16-9-27-8-13(3)18(19(33)21(27)28)22(34)29(27,38-15(5)32)25(28)30(16)11-26(20,6)23(17)36-14(4)31/h12,16-23,25,33-34H,3,7-11H2,1-2,4-6H3/t12-,16+,17-,18-,19-,20-,21-,22-,23-,25+,26+,27-,28+,29+/m1/s1
SMILES [C@]12([C@@H]([C@@H]3C(=C)C[C@@]42C[C@@H]2N5[C@H]1[C@@]1([C@H]2[C@](C5)([C@@H]([C@@H](C1)OC(=O)[C@H](C)CC)OC(=O)C)C)[C@@H]4[C@@H]3O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum carmichaeli Ref.
--Brachycaudus aconiti Mordv. Ref.
--Brachycaudus napelli Schrk. Ref.
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