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 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]1[C@H]([C@@H]([C@@H]([C@H](O1)C(=O)O)O[C@@H]1[C@@H]([C@@H]([C@H](O1)CO)O)O)O[C@@H]1O[C@H]([C@H]([C@H]1O)O)CO)O)C)C)C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaeAralia mandschurica Ref.
PlantaeAraliaceaeAralia manschurica Ref.
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OrganismAralia mandschurica
ReferenceLutomski,Herba Pol.,23,(1977),183