input word = C00035725

Metabolite InformationStructural formula
Name Pentagydine
Formula C22H33NO5
Mw 391.23587317
CAS RN 86630-38-8
C_ID C00035725 ,
InChIKey UFASFSIAJQSRGX-UHFFFAOYNA-N
InChICode InChI=1S/C22H33NO5/c1-4-23-17-21(26)9-13-19(2)6-5-14(28-18(19)23)22(13,17)11-7-10-12(27-3)8-20(21,25)15(11)16(10)24/h10-18,24-26H,4-9H2,1-3H3/t10-,11-,12+,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-/m0/s1
SMILES [C@@]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)C1)C)CC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Cholesterol
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeDelphinium pentagynum Ref.
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