input word = C00035727

Metabolite InformationStructural formula
Name Pentagynine
Formula C23H35NO5
Mw 405.25152324
CAS RN 84306-91-2
C_ID C00035727 ,
InChIKey RKAAIHVVVCCIIB-UHFFFAOYNA-N
InChICode InChI=1S/C23H35NO5/c1-5-24-19-15-17(28-4)18-21(2)7-6-13(29-20(21)24)23(18,19)11-8-10-12(27-3)9-22(15,26)14(11)16(10)25/h10-20,25-26H,5-9H2,1-4H3/t10-,11-,12+,13-,14-,15-,16-,17-,18+,19+,20+,21+,22-,23-/m0/s1
SMILES [C@@H]12[C@H]3N([C@H]4[C@]5([C@H]([C@]3([C@@H]3[C@@H]6[C@]2(C[C@H]([C@@H]([C@@H]6O)C3)OC)O)[C@H](CC5)O4)[C@H]1OC)C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
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