input word = C00050538

Metabolite InformationStructural formula
Name Auricularine
Formula C33H42N4
Mw 494.34094737
CAS RN 73706-32-8
C_ID C00050538
InChIKey RTHNIWHULJBNTJ-ROLOPXHNSA-N
InChICode InChI=1S/C33H42N4/c1-21-19-25-28(31(2,3)20-21)29(30-23(15-17-36(4)5)22-11-7-9-13-26(22)34-30)32-16-18-37(6)33(25,32)35-27-14-10-8-12-24(27)32/h7-14,19,25,28-29,34-35H,15-18,20H2,1-6H3/t25-,28-,29-,32?,33?/m0/s1
SMILES CC1=C[C@H]2[C@@H]([C@@H](c3[nH]c4ccccc4c3CCN(C)C)[C@]34CCN(C)[C@]23Nc2ccccc24)C(C)(C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeHedyotis auricularia Ref.
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OrganismHedyotis auricularia
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).