input word = C00040071

Metabolite InformationStructural formula
Name Primulanin
Formula C46H74O17
Mw 898.49260094
CAS RN 113558-16-0
C_ID C00040071 ,
InChIKey JFAKXPCWZPQXLP-UHFFFAOYNA-N
InChICode InChI=1S/C46H74O17/c1-40(2)25-7-11-43(5)26(8-12-46-27-15-41(3,20-48)13-14-45(27,21-59-46)28(50)16-44(43,46)6)42(25,4)10-9-29(40)62-37-35(56)32(53)24(19-58-37)61-39-36(33(54)31(52)23(17-47)60-39)63-38-34(55)30(51)22(49)18-57-38/h20,22-39,47,49-56H,7-19,21H2,1-6H3/t22-,23-,24-,25+,26+,27+,28+,29+,30+,31-,32+,33+,34+,35+,36-,37-,38+,39-,41-,42-,43-,44+,45-,46+/m1/s1
SMILES CC1(C=O)CCC23COC4(CCC5C6(C)CCC(OC7OCC(OC8OC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)C(O)C7O)C(C)(C)C6CCC5(C)C4(C)CC2O)C3C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
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