input word = C00031143

Metabolite InformationStructural formula
Name Rediocide B
Formula C44H58O13
Mw 794.38774194
CAS RN 677277-97-3
C_ID C00031143 ,
InChIKey DHFROJQSOJWWFQ-YCRUPXPONA-N
InChICode InChI=1S/C44H58O13/c1-6-23(2)37(47)52-29-14-10-11-15-31(46)53-33-24(3)20-30-41(33,50)38(48)40(22-45)35(54-40)32-36-43(51,39(5,49)21-26-16-18-27(29)19-17-26)34-25(4)42(30,32)57-44(55-34,56-36)28-12-8-7-9-13-28/h7-15,23-27,29-30,32-36,38,45,48-51H,6,16-22H2,1-5H3/b14-10-,15-11+/t23-,24-,25-,26-,27-,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)CC2CCC1CC2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides Ref.
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