input word = C00040144

Metabolite InformationStructural formula
Name Rediocide D
Formula C46H54O13
Mw 814.35644181
CAS RN 67727799-5
C_ID C00040144 ,
InChIKey GBKHBDSGKZALFY-FMQUCBEENA-N
InChICode InChI=1S/C46H54O13/c1-23-21-30-43(51)35(23)54-31(47)20-19-29-34(53-29)33(55-39(48)27-11-7-5-8-12-27)26-17-15-25(16-18-26)22-41(3,50)45(52)36-24(2)44(30)32(37-42(4,56-37)40(43)49)38(45)58-46(57-36,59-44)28-13-9-6-10-14-28/h5-14,19-20,23-26,29-30,32-38,40,49-52H,15-18,21-22H2,1-4H3/b20-19+/t23-,24-,25-,26-,29-,30-,32+,33+,34+,35-,36+,37+,38-,40-,41-,42+,43+,44+,45+,46+/m1/s1
SMILES CC1CC2C3(O)C1OC(=O)/C=C/C1OC1C(OC(=O)c1ccccc1)C1CCC(CC1)CC(C)(O)C1(O)C4OC5(c6ccccc6)OC1C(C1OC1(C)C3O)C2(O5)C4C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeTrigonostemon reidioides Craib Ref.
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OrganismTrigonostemon reidioides Craib
ReferenceYin,J.Nat.Prod.,71,(2008),1414