input word = C00028875

Metabolite InformationStructural formula
Name Pseudostellarin B
Formula C33H46N8O8
Mw 682.3438605
CAS RN 156430-21-6
C_ID C00028875 ,
InChIKey QFUNIUYCQLWNMO-AJTDATPINA-N
InChICode InChI=1S/C33H46N8O8/c1-3-20(2)29-32(48)37-17-26(43)34-16-25(42)35-19-28(45)40-13-8-12-24(40)33(49)41-14-7-11-23(41)31(47)38-22(15-21-9-5-4-6-10-21)30(46)36-18-27(44)39-29/h4-6,9-10,20,22-24,29H,3,7-8,11-19H2,1-2H3,(H,34,43)(H,35,42)(H,36,46)(H,37,48)(H,38,47)(H,39,44)/t20-,22-,23-,24-,29-/m0/s1
SMILES C1(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H]3N(C(=O)CN1)CCC3)CCC2)Cc1ccccc1)[C@H](CC)C
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
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