input word = C00040100

Metabolite InformationStructural formula
Name Psychollatine
Formula C27H32N2O9
Mw 528.21078064
CAS RN 850307-03-8
C_ID C00040100 ,
InChIKey CNDZNSRMCKQXEC-MCUZQQSINA-N
InChICode InChI=1S/C27H32N2O9/c1-35-25(34)16-11-36-26(38-27-24(33)23(32)22(31)18(10-30)37-27)19-13(16)6-7-15(19)20-21-14(8-9-28-20)12-4-2-3-5-17(12)29-21/h2-5,7,11,13,18-20,22-24,26-33H,6,8-10H2,1H3/t13-,18-,19-,20-,22-,23+,24-,26-,27+/m1/s1
SMILES COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C3NCCc4c3[nH]c3ccccc43)=CC[C@H]12
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria umbellata Ref.
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