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 c12c(CCN[C@@H]1C1=CC[C@H]3[C@H]1[C@H](OC=C3C(=O)OC)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)c1c([nH]2)cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaePsychotria umbellata Ref.
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