input word = C00049465

Metabolite InformationStructural formula
Name Longiberine
Formula C38H40N2O7
Mw 636.28355165
CAS RN 248583-77-9
C_ID C00049465 ,
InChIKey MWGNKNYAZMCDHD-IMDSDXEONA-N
InChICode InChI=1S/C38H40N2O7/c1-39-12-10-22-16-30(42-2)33-19-27(22)28(39)14-21-6-8-25(9-7-21)46-32-17-23-15-29-34-26(11-13-40(29)20-24(23)18-31(32)43-3)35(41)37(44-4)38(45-5)36(34)47-33/h6-9,16-19,28-29,41H,10-15,20H2,1-5H3/t28-,29-/m0/s1
SMILES COc1cc2c3cc1Oc1ccc(cc1)C[C@H]1c4cc(c(OC)cc4CCN1C)Oc1c(OC)c(OC)c(O)c4c1[C@H](C3)N(CC4)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeThalictrum longistylum Ref.
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