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 C1(CC[C@]2([C@H](C1)C1=CC[C@H]3[C@@]([C@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O[C@H]1OC[C@@H]([C@@H]([C@@H]1O)O)O)O)C(=O)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeAralia elatal Ref.
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OrganismAralia elata
ReferenceKochetkov,N.K.et al.,Izv.Akad.Nauk SSSR,Ser.Khim.,(1963),1398