input word = C00036111

Metabolite InformationStructural formula
Name Denin
(+)-Denin
Formula C33H56O14
Mw 676.3670065
CAS RN 651712-08-2
C_ID C00036111 ,
InChIKey UNWBBBCIZYEGIZ-MIOXOAABNA-N
InChICode InChI=1S/C33H56O14/c1-13(35)17-8-10-33(43)18-6-5-15-11-16(7-9-31(15,3)20(18)22(37)28(42)32(17,33)4)45-29-26(41)24(39)27(14(2)44-29)47-30-25(40)23(38)21(36)19(12-34)46-30/h13-30,34-43H,5-12H2,1-4H3/t13-,14+,15+,16+,17-,18-,19-,20-,21+,22+,23+,24+,25-,26+,27-,28-,29+,30-,31+,32+,33+/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@@]2([C@]([C@@H]([C@H]1O)O)([C@H](CC2)[C@@H](C)O)C)O)C)O[C@@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMarsdenia roylei Ref.
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