input word = C00052472

Metabolite InformationStructural formula
Name (+)-Antioquine
Formula C37H40N2O6
Mw 608.28863702
CAS RN 93767-27-2
C_ID C00052472
InChIKey MNNXIEANPHEHSB-WDYNHAJCSA-N
InChICode InChI=1S/C37H40N2O6/c1-38-12-10-23-18-32(43-4)33-20-25(23)28(38)16-21-6-8-30(40)26(14-21)27-15-22(7-9-31(27)42-3)17-29-35-24(11-13-39(29)2)19-34(44-5)36(41)37(35)45-33/h6-9,14-15,18-20,28-29,40-41H,10-13,16-17H2,1-5H3/t28-,29+/m1/s1
SMILES COc1cc2c3cc1Oc1c(O)c(OC)cc4c1[C@H](Cc1ccc(OC)c(c1)-c1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia columbiana Ref.
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OrganismXylopia columbiana
ReferenceMoreira, I. C. et al., Chem. Biodiv., 10, (2013), 1921-1943.