input word = C00037463

Metabolite InformationStructural formula
Name Magnolenin C
Formula C28H36O14
Mw 596.21050586
CAS RN 66779-67-7
C_ID C00037463 ,
InChIKey MKANRUKEQFCARD-UHFFFAOYNA-N
InChICode InChI=1S/C28H36O14/c1-35-16-7-13(8-17(36-2)21(16)30)28(34)15-11-39-25(14(15)10-40-28)12-5-18(37-3)26(19(6-12)38-4)42-27-24(33)23(32)22(31)20(9-29)41-27/h5-8,14-15,20,22-25,27,29-34H,9-11H2,1-4H3/t14-,15-,20+,22-,23-,24+,25+,27-,28+/m1/s1
SMILES COc1cc(C2(O)OCC3C(c4cc(OC)c(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC32)cc(OC)c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeAcanthus ebracteatus Ref.
PlantaeMagnoliaceaeMagnolia grandiflora Ref.
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