input word = C00039410

Metabolite InformationStructural formula
Name Incarvillateine D
Formula C41H56N2O7
Mw 688.40875216
CAS RN 244259-23-2
C_ID C00039410 ,
InChIKey JMQHOPANKAOTDB-YQFQMGLKNA-N
InChICode InChI=1S/C41H56N2O7/c1-21-17-42(5)19-30-23(3)33(15-28(21)30)49-40(46)38-36(25-8-11-27(44)12-9-25)39(37(38)26-10-13-32(45)35(14-26)48-7)41(47)50-34-16-29-22(2)18-43(6)20-31(29)24(34)4/h8-14,21-24,28-31,33-34,36-39,44-45H,15-20H2,1-7H3/t21-,22-,23-,24-,28-,29-,30+,31+,33+,34+,36-,37-,38+,39+/m0/s1
SMILES [C@H]1([C@@H]([C@H]([C@H]1c1ccc(c(c1)OC)O)C(=O)O[C@H]1[C@H]([C@@H]2[C@@H](C1)[C@H](CN(C2)C)C)C)c1ccc(cc1)O)C(=O)O[C@H]1[C@H]([C@@H]2[C@@H](C1)[C@H](CN(C2)C)C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeIncarvillea sinensis Ref.
--Incarvilea sinensis L. Ref.
zoom in