input word = C00039106

Metabolite InformationStructural formula
Name Elatoside K
Formula C53H84O23
Mw 1088.54033899
CAS RN 91204-06-7
C_ID C00039106 ,
InChIKey GTMFXAIMOULWTC-UHFFFAOYNA-N
InChICode InChI=1S/C53H84O23/c1-48(2)14-16-53(47(68)76-45-37(64)34(61)32(59)26(20-55)71-45)17-15-51(6)22(23(53)18-48)8-9-28-50(5)12-11-29(49(3,4)27(50)10-13-52(28,51)7)72-46-41(75-44-36(63)33(60)31(58)25(19-54)70-44)39(38(65)40(74-46)42(66)67)73-43-35(62)30(57)24(56)21-69-43/h8,23-41,43-46,54-65H,9-21H2,1-7H3,(H,66,67)/t23-,24+,25+,26-,27-,28-,29+,30+,31-,32+,33+,34-,35+,36-,37+,38-,39-,40-,41+,43-,44+,45+,46+,50+,51+,52+,53+/m1/s1
SMILES CC1(C)CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeAralia elatal Ref.
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