input word = C00064017

Metabolite InformationStructural formula
Name Dichotomin A
Formula C35H48N6O8
Mw 680.35336255
CAS RN 172430-43-2
C_ID C00064017
InChIKey KPSXARSAIADXNN-VJBMBCGISA-N
InChICode InChI=1S/C35H48N6O8/c1-19(2)15-25-31(45)38-27(17-23-11-13-24(43)14-12-23)33(47)41-29(20(3)4)34(48)36-18-28(44)40-30(21(5)42)35(49)39-26(32(46)37-25)16-22-9-7-6-8-10-22/h6-14,19-21,25-27,29-30,42-43H,15-18H2,1-5H3,(H,36,48)(H,37,46)(H,38,45)(H,39,49)(H,40,44)(H,41,47)/t21-,25+,26+,27+,29+,30+/m1/s1
SMILES CC(C)CC1NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)O)NC(=O)CNC(=O)C(C(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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