input word = C00028746

Metabolite InformationStructural formula
Name Nupharpumilamine A
Formula C30H42N2O4S
Mw 526.28652857
CAS RN 205530-11-6
C_ID C00028746 ,
InChIKey JCYFYJQIDIKANA-HTKKYDLYNA-N
InChICode InChI=1S/C30H42N2O4S/c1-20-3-5-26(22-9-13-35-15-22)31-18-30(12-8-24(20)31)17-29(19-37(30)34)11-7-25-21(2)4-6-27(32(25)28(29)33)23-10-14-36-16-23/h9-10,13-16,20-21,24-28,33H,3-8,11-12,17-19H2,1-2H3/t20-,21-,24+,25+,26+,27+,28-,29-,30+,37-/m1/s1
SMILES C1[C@@]2(C[C@@]3([S@@]1=O)CC[C@@H]1N(C3)[C@@H](CC[C@H]1C)c1cocc1)[C@H](N1[C@@H](CC2)[C@@H](CC[C@H]1c1cocc1)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeNymphaeaceaeNuphar pumilum Ref.
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