input word = C00044749

Metabolite InformationStructural formula
Name Epoxymethoxygaertneroside
Formula C27H30O15
Mw 594.15847029
CAS RN 497178-51-5
C_ID C00044749 ,
InChIKey YCKDJQYUDRMPHQ-RGYVRXJZNA-N
InChICode InChI=1S/C27H30O15/c1-36-13-5-9(3-4-12(13)29)17(30)10-6-27(42-24(10)35)16-15(21-22(27)40-21)11(23(34)37-2)8-38-25(16)41-26-20(33)19(32)18(31)14(7-28)39-26/h3-6,8,14-22,25-26,28-33H,7H2,1-2H3/t14-,15-,16-,17-,18-,19+,20-,21+,22+,25-,26+,27+/m1/s1
SMILES O1[C@@H]([C@H]2[C@@H](C(=C1)C(=O)OC)[C@H]1[C@@H]([C@]32OC(=O)C(=C3)[C@H](O)c2ccc(c(c2)OC)O)O1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRubiaceaeMorinda morindoides Ref.
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