input word = C00064020

Metabolite InformationStructural formula
Name Dichotomin B
Formula C34H46N6O9
Mw 682.33262711
CAS RN 172998-27-5
C_ID C00064020
InChIKey XNTUZIAQCKJMCB-ZIAYIUNKSA-N
InChICode InChI=1S/C34H46N6O9/c1-18(2)14-24-30(45)37-26(16-22-10-12-23(43)13-11-22)32(47)40-28(19(3)41)33(48)35-17-27(44)39-29(20(4)42)34(49)38-25(31(46)36-24)15-21-8-6-5-7-9-21/h5-13,18-20,24-26,28-29,41-43H,14-17H2,1-4H3,(H,35,48)(H,36,46)(H,37,45)(H,38,49)(H,39,44)(H,40,47)/t19-,20-,24+,25+,26+,28+,29+/m1/s1
SMILES CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C(C)O)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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