input word = C00027739

Metabolite InformationStructural formula
Name 3-Acetyl-15-veratroylgermine
Formula C38H53NO12
Mw 715.35677617
CAS RN 33352-58-8
C_ID C00027739 ,
InChIKey XDIMRNPHPPXRMV-BLZQTYPCNA-N
InChICode InChI=1S/C38H53NO12/c1-18-7-10-27-35(4,44)29-21(17-39(27)16-18)22-15-36-31(23(41)14-26-34(36,3)12-11-28(49-19(2)40)38(26,46)51-36)37(22,45)32(30(29)42)50-33(43)20-8-9-24(47-5)25(13-20)48-6/h8-9,13,18,21-23,26-32,41-42,44-46H,7,10-12,14-17H2,1-6H3/t18-,21-,22-,23+,26-,27-,28-,29+,30+,31+,32-,34-,35+,36+,37-,38-/m0/s1
SMILES [C@]123O[C@@]4([C@H](CC[C@]1([C@@H]4C[C@H]([C@H]2[C@]1([C@@H](C3)[C@H]2[C@H]([C@H]([C@@H]1OC(=O)c1cc(c(cc1)OC)OC)O)[C@@]([C@H]1N(C2)C[C@H](CC1)C)(O)C)O)O)C)OC(=O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum album ssp.lobelianum Ref.
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