input word = C00040902

Metabolite InformationStructural formula
Name Boucheoside
Formula C27H34O14
Mw 582.1948558
CAS RN 220892-47-7
C_ID C00040902 ,
InChIKey DVQVHBAATHWQAS-ZMQXJYIENA-N
InChICode InChI=1S/C27H34O14/c1-26(34)17(40-18(29)9-6-13-4-7-14(36-2)8-5-13)10-27(35)15(23(33)37-3)12-38-25(22(26)27)41-24-21(32)20(31)19(30)16(11-28)39-24/h4-9,12,16-17,19-22,24-25,28,30-32,34-35H,10-11H2,1-3H3/b9-6-/t16-,17+,19-,20+,21-,22-,24+,25+,26+,27+/m1/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@](C)(O)[C@@H](OC(=O)/C=Cc3ccc(OC)cc3)C[C@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeBouchea fluminensis Ref.
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