input word = C00057577

Metabolite InformationStructural formula
Name Quinquenoside L10
Formula C47H80O17
Mw 916.53955113
CAS RN 83480-64-2
C_ID C00057577
InChIKey GERAVLSYASJXNR-MZPZAZMJSA-N
InChICode InChI=1S/C47H80O17/c1-22(2)10-9-15-46(7,64-42-39(58)36(55)34(53)25(62-42)21-60-40-37(56)32(51)23(49)20-59-40)28-12-11-27-45(6)16-13-26-43(3,4)31(63-41-38(57)35(54)33(52)24(19-48)61-41)14-17-44(26,5)29(45)18-30(50)47(27,28)8/h10,23-42,48-58H,9,11-21H2,1-8H3/t23-,24+,25+,26-,27-,28+,29+,30+,31-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42+,44-,45-,46-,47-/m0/s1
SMILES CC(C)=CCC[C@](C)(OC1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@H]2[C@]3(C)CC[C@H]4C(C)(C)[C@@H](OC5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium Ref.
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