input word = C00039321

Metabolite InformationStructural formula
Name Gypsin D
Formula C32H44N8O9
Mw 684.32312506
CAS RN 1039076-71-5
C_ID C00039321 ,
InChIKey ISDVIJCEPBQNDS-ZWRIXTMANA-N
InChICode InChI=1S/C32H44N8O9/c1-3-17(2)27-31(48)37-21(11-18-12-33-20-8-5-4-7-19(18)20)32(49)40-10-6-9-24(40)30(47)35-13-25(43)34-14-26(44)36-22(15-41)28(45)38-23(16-42)29(46)39-27/h4-5,7-8,12,17,21-24,27,33,41-42H,3,6,9-11,13-16H2,1-2H3,(H,34,43)(H,35,47)(H,36,44)(H,37,48)(H,38,45)(H,39,46)/t17-,21-,22-,23-,24-,27-/m0/s1
SMILES [C@@H]1(C(=O)N2[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)CC)CO)CO)CCC2)Cc1c2c([nH]c1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeGypsophila arabica Ref.
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