input word = C00039408

Metabolite InformationStructural formula
Name Incarvillateine
(-)-Incarvillateine
Formula C42H58N2O8
Mw 718.41931684
CAS RN 129748-10-3
C_ID C00039408 ,
InChIKey VQKTZIKAARDZIA-ORMDCNRRNA-N
InChICode InChI=1S/C42H58N2O8/c1-21-17-43(5)19-29-23(3)33(15-27(21)29)51-41(47)39-37(25-9-11-31(45)35(13-25)49-7)40(38(39)26-10-12-32(46)36(14-26)50-8)42(48)52-34-16-28-22(2)18-44(6)20-30(28)24(34)4/h9-14,21-24,27-30,33-34,37-40,45-46H,15-20H2,1-8H3/t21-,22-,23-,24-,27-,28-,29+,30+,33+,34+,37-,38+,39-,40+/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(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
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeBignoniaceaeIncarvillea sinensis Ref.
--Incarvilea sinensis L. Ref.
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