input word = C00041666

Metabolite InformationStructural formula
Name Methylene-bismehranine
(-)-Methylene-bismehranine
Formula C41H52N4O2
Mw 632.40902693
CAS RN 220327-18-4
C_ID C00041666 ,
InChIKey SGLCOXUGVSCZLV-VFPKBNONNA-N
InChICode InChI=1S/C41H52N4O2/c1-5-38-13-11-32-40(15-17-44(36(38)40)22-30-34(38)46-30)26-20-24(7-9-28(26)42(32)3)19-25-8-10-29-27(21-25)41-16-18-45-23-31-35(47-31)39(6-2,37(41)45)14-12-33(41)43(29)4/h7-10,20-21,30-37H,5-6,11-19,22-23H2,1-4H3/t30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41+/m1/s1
SMILES CC[C@@]12CC[C@@H]3N(C)c4ccc(Cc5ccc6c(c5)[C@@]57CCN8C[C@H]9O[C@H]9[C@@](CC)(CC[C@@H]5N6C)[C@H]87)cc4[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana bovina Ref.
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