input word = C00028881

Metabolite InformationStructural formula
Name Pseudostellarin H
Formula C44H60N8O10
Mw 860.4432402
CAS RN 167114-80-9
C_ID C00028881 ,
InChIKey KTMXVTWRZLIJFG-UHFFFAOYNA-N
InChICode InChI=1S/C44H60N8O10/c1-5-25(2)35-42(60)47-31(23-29-16-10-7-11-17-29)39(57)46-30(22-28-14-8-6-9-15-28)38(56)45-24-34(55)48-36(26(3)53)43(61)51-20-13-19-33(51)41(59)50-37(27(4)54)44(62)52-21-12-18-32(52)40(58)49-35/h6-11,14-17,25-27,30-33,35-37,53-54H,5,12-13,18-24H2,1-4H3,(H,45,56)(H,46,57)(H,47,60)(H,48,55)(H,49,58)(H,50,59)/t25-,26-,27+,30-,31+,32-,33+,35+,36+,37+/m0/s1
SMILES N1[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N2[C@@H](C(=O)N[C@@H](C(=O)N3[C@H](C(=O)N[C@@H](C1=O)[C@@H](C)CC)CCC3)[C@H](O)C)CCC2)[C@H](C)O)Cc1ccccc1)Cc1ccccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Lys L-Arg L-Asp
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePseudostellaria heterophylla Ref.
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