input word = C00001828

Metabolite InformationStructural formula
Name Cancentrine
Formula C36H34N2O7
Mw 606.23660146
CAS RN 29477-90-5
C_ID C00001828 ,
InChIKey XWPPHGONALRWBY-OZHVXGCNNA-N
InChICode InChI=1S/C36H34N2O7/c1-37-14-12-35-20-16-36(34(35)45-32-24(43-4)9-6-18(27(32)35)15-21(20)37)33(40)26-19-7-10-22(41-2)29(39)30(19)44-31-23(42-3)8-5-17-11-13-38(36)28(26)25(17)31/h5-10,20-21,34,39H,11-16H2,1-4H3/t20-,21+,34+,35-,36+/m1/s1
SMILES c12C3=C4c5c(Oc1c(ccc2CCN3[C@]1(C4=O)C[C@H]2[C@@]34[C@@H]1Oc1c3c(C[C@@H]2N(CC4)C)ccc1OC)OC)c(c(cc5)OC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeFumariaceaeDicentra canadensis Ref.
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