input word = C00001811

Metabolite InformationStructural formula
Name Aromoline
(+)-Aromoline
Thalicrine
Formula C36H38N2O6
Mw 594.27298696
CAS RN 519-53-9
C_ID C00001811 ,
InChIKey LFFQVHXIFJLJSP-YBFHJACQNA-N
InChICode InChI=1S/C36H38N2O6/c1-37-13-11-23-18-31(41-3)32-20-26(23)27(37)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-28-34-24(12-14-38(28)2)19-33(42-4)35(40)36(34)44-32/h5-10,17-20,27-28,39-40H,11-16H2,1-4H3/t27-,28+/m0/s1
SMILES c12c3c(c(c(c1)OC)O)Oc1c(cc4c(c1)[C@@H](N(CC4)C)Cc1ccc(c(c1)Oc1ccc(cc1)C[C@H]3N(CC2)C)O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeAnnonaceaeXylopia columbiana Ref.
PlantaeBerberidaceaeBerberis crataegina Ref.
PlantaeBerberidaceaeBerberis turcomanica Ref.
PlantaeBerberidaceaeBerberis vulgaris Ref.
PlantaeBerberidaceaeBerberis waziristanica Ref.
PlantaeBerberidaceaeMahonia aquifolium Ref.
PlantaeMenispermaceaeStephania cepharantha Ref.
PlantaeMenispermaceaeTriclisia patens Oliv. Ref.
PlantaeMenispermaceaeTriclisia subcordata Ref.
PlantaeMonimiaceaeDaphnandra aromatica Ref.
PlantaeRanunculaceaeThalictrum fortunei Ref.
PlantaeRanunculaceaeThalictrum lucidum Ref.
PlantaeRanunculaceaeThalictrum thunbergii Ref.
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