input word = C00024720

Metabolite InformationStructural formula
Name Murrafoline
Murrafoline A
Formula C41H42N2O2
Mw 594.3246286
CAS RN 88939-34-8
C_ID C00024720 ,
InChIKey GCLYVMBVNJATJH-AEVZHTSBNA-N
InChICode InChI=1S/C41H42N2O2/c1-21(2)24-15-16-41(7)20-31(24)34-37-29(18-23(4)39(34)45-41)26-12-10-13-27(35(26)43-37)30-19-40(5,6)44-38-22(3)17-28-25-11-8-9-14-32(25)42-36(28)33(30)38/h8-14,17-18,24,30-31,42-43H,1,15-16,19-20H2,2-7H3/t24-,30+,31?,41-/m1/s1
SMILES c12c(cc3c(c1[C@@H](CC(O2)(C)C)c1cccc2c1[nH]c1c2cc(c2c1[C@H]1[C@H](CC[C@@](O2)(C1)C)C(=C)C)C)[nH]c1c3cccc1)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate L-Ala
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya euchrestifolia Ref.
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