input word = C00024689

Metabolite InformationStructural formula
Name Bismurrayafoline B
Formula C38H40N2O4
Mw 588.29880778
CAS RN 89368-92-3
C_ID C00024689 ,
InChIKey STVAUJYOJBWBNS-UHFFFAOYSA-N
InChICode InChI=1S/C38H40N2O4/c1-19(2)9-11-25-29(43-7)15-13-23-27-17-21(5)31(37(41)35(27)39-33(23)25)32-22(6)18-28-24-14-16-30(44-8)26(12-10-20(3)4)34(24)40-36(28)38(32)42/h9-10,13-18,39-42H,11-12H2,1-8H3
SMILES c1(ccc2c(c1CC=C(C)C)[nH]c1c2cc(c(c1O)c1c(cc2c3ccc(c(c3[nH]c2c1O)CC=C(C)C)OC)C)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya euchrestifolia Ref.
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