input word = C00031142

Metabolite InformationStructural formula
Name Rediocide A
Formula C44H58O13
Mw 794.38774194
CAS RN 280565-85-7
C_ID C00031142 ,
InChIKey WWWZHEWNMIUJLD-UKVBVZPVNA-N
InChICode InChI=1S/C44H58O13/c1-7-22(2)37(47)52-29-15-11-12-16-31(46)53-33-23(3)19-30-41(33,50)38(48)40(21-45)35(54-40)32-36-43(51,39(6,49)20-26-17-18-28(29)24(26)4)34-25(5)42(30,32)57-44(55-34,56-36)27-13-9-8-10-14-27/h8-16,22-26,28-30,32-36,38,45,48-51H,7,17-21H2,1-6H3/b15-11-,16-12+/t22-,23-,24+,25+,26-,28+,29+,30-,32-,33-,34-,35-,36+,38-,39+,40-,41-,42-,43-,44-/m1/s1
SMILES CCC(C)C(=O)OC1/C=CC=CC(=O)OC2C(C)CC3C2(O)C(O)C2(CO)OC2C2C4OC5(c6ccccc6)OC(C(C)C23O5)C4(O)C(C)(O)CC2CCC1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides (KURZ) Ref.
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