input word = C00036188

Metabolite InformationStructural formula
Name Palicoside
Formula C27H34N2O9
Mw 530.2264307
CAS RN 123828-68-2
C_ID C00036188 ,
InChIKey AZBVCHVFXBXKII-NLZGPEKRNA-N
InChICode InChI=1S/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-29(19)2)14-6-4-5-7-18(14)28-21)17(25(34)35)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-28,30-33H,1,8-11H2,2H3,(H,34,35)/t13-,16+,19+,20-,22-,23+,24-,26+,27+/m1/s1
SMILES C=CC1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1C[C@H]1c2[nH]c3ccccc3c2CCN1C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos mellodora Ref.
PlantaeLonganiaceaeStrychnos vanprukii Ref.
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