input word = C00038484

Metabolite InformationStructural formula
Name Araloside B
Formula C52H82O22
Mw 1058.52977431
CAS RN 7518-23-2
C_ID C00038484 ,
InChIKey GNGCEHDGLXJQOH-UHFFFAOYNA-N
InChICode InChI=1S/C52H82O22/c1-47(2)14-16-52(46(66)74-44-36(62)33(59)30(56)24(19-53)69-44)17-15-50(6)22(23(52)18-47)8-9-28-49(5)12-11-29(48(3,4)27(49)10-13-51(28,50)7)70-45-37(63)38(71-42-34(60)31(57)25(20-54)67-42)39(40(73-45)41(64)65)72-43-35(61)32(58)26(21-55)68-43/h8,23-40,42-45,53-63H,9-21H2,1-7H3,(H,64,65)/t23-,24-,25+,26-,27+,28-,29+,30-,31-,32-,33+,34-,35-,36-,37+,38+,39+,40+,42+,43-,44+,45+,49+,50-,51+,52-/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(OC7OC(CO)C(O)C7O)C(OC7OC(CO)C(O)C7O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeAralia mandschurica Ref.
PlantaeAraliaceaeAralia manschurica Ref.
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