input word = C00002849

Metabolite InformationStructural formula
Name Physcion 8-gentiobioside
Formula C28H32O15
Mw 608.17412036
CAS RN 84268-38-2
C_ID C00002849 ,
InChIKey YMXXCMGLMRYEQD-MJDZMTAONA-N
InChICode InChI=1S/C28H32O15/c1-9-3-11-17(13(30)4-9)22(34)18-12(19(11)31)5-10(39-2)6-14(18)41-28-26(38)24(36)21(33)16(43-28)8-40-27-25(37)23(35)20(32)15(7-29)42-27/h3-6,15-16,20-21,23-30,32-33,35-38H,7-8H2,1-2H3/t15-,16-,20-,21-,23+,24+,25+,26-,27-,28-/m1/s1
SMILES c1c(cc2c(c1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O)C(=O)c1c(C2=O)cc(cc1O)C)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia torosa Ref.
PlantaePolygonaceaeRheum palmatum Ref.
PlantaeRhamnaceaeRhamnus virgata Ref.
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