input word = C00041063

Metabolite InformationStructural formula
Name Methylene-bismehranine
(-)-Methylene-bismehranine
Formula C32H40O9
Mw 568.26723288
CAS RN 220809-34-7
C_ID C00041063 ,
InChIKey JJTOVDGWVPPWNZ-PNHRFNMZNA-N
InChICode InChI=1S/C32H40O9/c1-8-17(2)26(35)41-28-29(3,4)22(14-23(33)38-7)31(6)20-9-11-30(5)21(19(20)15-32(28,37)27(31)36)13-24(34)40-25(30)18-10-12-39-16-18/h8,10,12,15-16,20-22,25,28,37H,9,11,13-14H2,1-7H3/b17-8+/t20-,21+,22-,25-,28-,30+,31+,32-/m0/s1
SMILES [C@@H]1(C([C@@H]([C@]2([C@@H]3C(=C[C@@]1(C2=O)O)[C@@H]1[C@@](CC3)([C@@H](OC(=O)C1)c1ccoc1)C)C)CC(=O)OC)(C)C)OC(=O)/C(=C/C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana bovina Ref.
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OrganismTabernaemontana bovina
ReferenceLien,Phytochem.,49,(1998),1797