input word = C00064021

Metabolite InformationStructural formula
Name Dichotomin C
Formula C33H44N6O8
Mw 652.32206243
CAS RN 172998-28-6
C_ID C00064021
InChIKey YVOYUEGGMRGNLO-LKKMZFPHSA-N
InChICode InChI=1S/C33H44N6O8/c1-18(2)14-24-31(45)37-25(16-22-10-12-23(41)13-11-22)30(44)35-19(3)29(43)34-17-27(42)39-28(20(4)40)33(47)38-26(32(46)36-24)15-21-8-6-5-7-9-21/h5-13,18-20,24-26,28,40-41H,14-17H2,1-4H3,(H,34,43)(H,35,44)(H,36,46)(H,37,45)(H,38,47)(H,39,42)/t19-,20+,24-,25-,26-,28-/m0/s1
SMILES CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C)NC(=O)C(Cc2ccc(O)cc2)NC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaeStellaria dichotoma Ref.
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