input word = C00028299

Metabolite InformationStructural formula
Name Germinaline
Formula C39H61NO13
Mw 751.41429104
CAS RN 23211-84-9
C_ID C00028299 ,
InChIKey CPINTEKYWNYXNP-UHFFFAOYNA-N
InChICode InChI=1S/C39H61NO13/c1-9-19(3)32(44)52-31-29(43)28-22(17-40-16-18(2)10-11-26(40)36(28,8)47)23-15-37-30(38(23,31)48)24(42)14-25-34(37,6)13-12-27(39(25,49)53-37)51-33(45)35(7,46)20(4)50-21(5)41/h18-20,22-31,42-43,46-49H,9-17H2,1-8H3/t18-,19+,20+,22+,23-,24+,25-,26-,27+,28-,29+,30-,31-,34-,35+,36-,37+,38-,39-/m0/s1
SMILES [C@@]123[C@@H]([C@@]4([C@H]([C@@H]([C@H]5[C@@]([C@@H]6CC[C@@H](CN6C[C@@H]5[C@@H]4C1)C)(C)O)O)OC(=O)[C@H](C)CC)O)[C@@H](C[C@H]1[C@@]2(CC[C@H]([C@]1(O3)O)OC(=O)[C@@]([C@H](OC(=O)C)C)(O)C)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeMelanthiaceaeVeratrum lobelianum Ref.
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