input word = C00027231

Metabolite InformationStructural formula
Name Phoebegrandine C
Formula C28H33N3O3
Mw 459.25219194
CAS RN 690957-78-9
C_ID C00027231 ,
InChIKey UFQGVNJKPJVZKQ-AVNQPRPQNA-N
InChICode InChI=1S/C28H33N3O3/c1-31-12-8-16-13-21(34-2)25(33)24-23(16)20(31)14-27(24)9-10-28(15-22(27)32)26-18(7-11-29-28)17-5-3-4-6-19(17)30-26/h3-6,13,20,22,29-30,32-33H,7-12,14-15H2,1-2H3/t20-,22+,27+,28+/m0/s1
SMILES c12c(CCN[C@@]31C[C@H]([C@]1(CC3)c3c4[C@H](C1)N(CCc4cc(c3O)OC)C)O)c1c([nH]2)cccc1
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
PlantaeLauraceaePhoebe grandis Ref.
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