input word = C00030394

Metabolite InformationStructural formula
Name Ginsenoside Rb1
Sanchinoside E1
Sanchinoside Rb1
Formula C54H92O23
Mw 1108.60293925
CAS RN 41753-43-9
C_ID C00030394 ,
InChIKey GZYPWOGIYAIIPV-ALZLSOIBNA-N
InChICode InChI=1S/C54H92O23/c1-23(2)10-9-14-54(8,77-48-44(69)40(65)37(62)29(74-48)22-70-46-42(67)38(63)34(59)26(19-55)71-46)24-11-16-53(7)33(24)25(58)18-31-51(5)15-13-32(50(3,4)30(51)12-17-52(31,53)6)75-49-45(41(66)36(61)28(21-57)73-49)76-47-43(68)39(64)35(60)27(20-56)72-47/h10,24-49,55-69H,9,11-22H2,1-8H3/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-,49-,51-,52+,53+,54-/m0/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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)(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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
PlantaeAraliaceaePanax quinquefolium Ref.
PlantaeAraliaceaePanax quinquefolius L. Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
PlantaeCucurbitaceaeGynostemma yixingense Ref.
--Panx quinquefolius L. Ref.
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OrganismPanax pseudo-ginseng var.japonicus
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