input word = C00030393

Metabolite InformationStructural formula
Name Ginsenoside Ra3
Formula C59H100O27
Mw 1240.64519799
CAS RN 90985-77-6
C_ID C00030393 ,
InChIKey QUNSGRLNZDSQJC-UHFFFAOYNA-N
InChICode InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-53-46(75)42(71)39(68)31(82-53)23-78-51-47(76)48(40(69)30(21-62)79-51)84-50-44(73)36(65)27(64)22-77-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-54-49(43(72)38(67)29(20-61)81-54)85-52-45(74)41(70)37(66)28(19-60)80-52/h10,25-54,60-76H,9,11-23H2,1-8H3/t25-,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,36+,37-,38-,39+,40+,41-,42-,43-,44+,45-,46+,47+,48-,49+,50+,51+,52-,53+,54-,56-,57+,58+,59+/m1/s1
SMILES C1[C@H](C([C@@H]2[C@@](C1)([C@@H]1[C@](CC2)([C@@]2([C@@H]([C@H](C1)O)[C@@H](CC2)[C@@](O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO[C@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O)O)CO)(CCC=C(C)C)C)C)C)C)(C)C)O[C@H]1O[C@@H]([C@H]([C@H]([C@@H]1O[C@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax notoginseng Ref.
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