input word = C00001777

Metabolite InformationStructural formula
Name Trichotomine
Formula C30H20N4O6
Mw 532.1382844
CAS RN 53472-14-3
C_ID C00001777 ,
InChIKey LOHPAPKRMNSIDN-PJWPLZPDNA-N
InChICode InChI=1S/C30H20N4O6/c35-27-17(11-21-25-15(9-23(29(37)38)33(21)27)13-5-1-3-7-19(13)31-25)18-12-22-26-16(14-6-2-4-8-20(14)32-26)10-24(30(39)40)34(22)28(18)36/h1-8,11-12,23-24,31-32H,9-10H2,(H,37,38)(H,39,40)/b18-17-/t23-,24-/m0/s1
SMILES c12c(C3=C/C(=C\4/C=C5c6c(C[C@H](N5C4=O)C(=O)O)c4c([nH]6)cccc4)/C(=O)N3[C@@H](C1)C(=O)O)[nH]c1c2cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum trichotomum Ref.
PlantaeLabiataePremna microphylla Ref.
PlantaeVerbenaceaeClerodendron trichotomum Ref.
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OrganismPremna microphylla
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)