input word = C00025902

Metabolite InformationStructural formula
Name Insularine 2beta-N-oxide
Formula C38H40N2O7
Mw 636.28355165
CAS RN 153321-63-2
C_ID C00025902 ,
InChIKey DAFGPYIDXUGEMR-SYLQWSPDNA-N
InChICode InChI=1S/C38H40N2O7/c1-39-14-12-24-19-32(43-4)36-37-33(24)28(39)17-22-6-9-27(10-7-22)46-38-34-25(20-31(42-3)35(38)44-5)13-15-40(2,41)29(34)18-23-8-11-30(47-37)26(16-23)21-45-36/h6-11,16,19-20,28-29H,12-15,17-18,21H2,1-5H3/t28-,29-,40-/m1/s1
SMILES c12c3[C@H](N(=O)(CCc3cc(c1OC)OC)C)Cc1ccc3c(c1)COc1c(c4c(CCN([C@@H]4Cc4ccc(O2)cc4)C)cc1OC)O3
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
PlantaeMenispermaceaeCyclea sutchuenensis Gagnep. Ref.
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OrganismCyclea sutchuenensis Gagnep.
ReferenceLai,Yao Hsueh Hsueh Pao,28,(1993),599