input word = C00026545

Metabolite InformationStructural formula
Name Phoebegrandine B
Formula C29H35N3O3
Mw 473.26784201
CAS RN 194737-77-4
C_ID C00026545 ,
InChIKey BUGROTGOGCYEDH-ILSDXDHSNA-N
InChICode InChI=1S/C29H35N3O3/c1-32-13-7-17-14-23(33)26(35-3)25-24(17)22(32)16-28(25)8-10-29(11-9-28)27-19(6-12-30-29)20-15-18(34-2)4-5-21(20)31-27/h4-5,14-15,22,30-31,33H,6-13,16H2,1-3H3/t22-,28-,29-/m0/s1
SMILES c1c(ccc2c1c1c([nH]2)[C@]2(NCC1)CC[C@@]1(CC2)c2c3c(cc(c2OC)O)CCN([C@H]3C1)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeLauraceaePhoebe grandis Ref.
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OrganismPhoebe grandis
ReferenceMukhtar,Phytochem.,45,(1997),1543