input word = C00056830

Metabolite InformationStructural formula
Name Quinquefoloside La
Formula C54H92O23
Mw 1108.60293925
CAS RN 1055312-53-2
C_ID C00056830
InChIKey CCBRDBOHWANETE-YWBWMFLCSA-N
InChICode InChI=1S/C54H92O23/c1-49(2,69-9)14-10-15-54(8,77-47-43(68)39(64)37(62)29(74-47)23-71-45-41(66)34(59)26(58)22-70-45)24-11-17-53(7)33(24)25(57)19-31-51(5)16-13-32(50(3,4)30(51)12-18-52(31,53)6)75-48-44(40(65)36(61)28(21-56)73-48)76-46-42(67)38(63)35(60)27(20-55)72-46/h10,14,24-48,55-68H,11-13,15-23H2,1-9H3/b14-10+/t24-,25+,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,51-,52+,53+,54-/m0/s1
SMILES COC(C)(C)/C=C/C[C@](C)(O[C@@H]1O[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@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax quinquefolium Ref.
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