input word = C00051434

Metabolite InformationStructural formula
Name Magnolignan I
Formula C33H30O6
Mw 522.20423869
CAS RN 138591-13-6
C_ID C00051434
InChIKey JLQQJIWDVGIGMI-KXUJUKPPNA-N
InChICode InChI=1/C33H30O6/c1-3-5-19-7-10-29(36)23(13-19)25-15-21(9-12-31(25)38)32-28(18-34)27-17-22(35)16-26(33(27)39-32)24-14-20(6-4-2)8-11-30(24)37/h3-4,7-17,28,32,34-38H,1-2,5-6,18H2/t28-,32+/s2
SMILES C=CCc1ccc(O)c(-c2cc([C@H]3Oc4c(-c5cc(CC=C)ccc5O)cc(O)cc4[C@@H]3CO)ccc2O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMagnoliaceaeMagnolia officinalis Ref.
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