input word = C00026772

Metabolite InformationStructural formula
Name Turbinatine
(-)-Turbinatine
Formula C27H34N2O9
Mw 530.2264307
CAS RN 575432-21-2
C_ID C00026772 ,
InChIKey XAYUCVICBPYPRE-HHTRQJQCNA-N
InChICode InChI=1S/C27H34N2O9/c1-3-13-16(17(11-30)26(35)36-2)10-19-21-15(14-6-4-5-7-18(14)28-21)8-9-29(19)25(13)38-27-24(34)23(33)22(32)20(12-31)37-27/h3-7,11,13,16,19-20,22-25,27-28,30-34H,1,8-10,12H2,2H3/b17-11-/t13-,16-,19-,20-,22+,23-,24-,25-,27+/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2CCN2[C@H]1C[C@@H]([C@@H]([C@@H]2O[C@H]1O[C@H]([C@@H](O)[C@H](O)[C@@H]1O)CO)C=C)/C(=C/O)/C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeChimarrhis turbinata Ref.
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