input word = C00028215

Metabolite InformationStructural formula
Name Dolichantoside
Formula C28H36N2O9
Mw 544.24208076
CAS RN 68727-52-6
C_ID C00028215 ,
InChIKey SLMISZLSXLAAKK-OFHSULMRNA-N
InChICode InChI=1S/C28H36N2O9/c1-4-14-17(11-20-22-16(9-10-30(20)2)15-7-5-6-8-19(15)29-22)18(26(35)36-3)13-37-27(14)39-28-25(34)24(33)23(32)21(12-31)38-28/h4-8,13-14,17,20-21,23-25,27-29,31-34H,1,9-12H2,2-3H3/t14-,17-,20-,21+,23-,24-,25+,27-,28-/m0/s1
SMILES c1ccc2c(c1)[nH]c1c2CCN([C@H]1C[C@H]1[C@@H]([C@@H](OC=C1C(=O)OC)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C=C)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos mellodora Ref.
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