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 O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)C2=C/C(=C3/C=C4c5[nH]c6ccccc6c5C[C@@H](C(=O)O)N4C3=O)C(=O)N21
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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