input word = C00030289

Metabolite InformationStructural formula
Name Foliachinenoside D
Formula C40H52O25
Mw 932.27976722
CAS RN 1041180-88-4
C_ID C00030289 ,
InChIKey BPSWMCGRCGOHIN-ZLERUFDANA-N
InChICode InChI=1S/C40H52O25/c1-11-22(44)27(49)31(53)37(58-11)57-10-20-25(47)30(52)36(65-38-32(54)28(50)23(45)12(2)59-38)40(63-20)64-35-26(48)21-16(43)7-14(60-39-33(55)29(51)24(46)19(9-41)62-39)8-18(21)61-34(35)13-4-5-15(42)17(6-13)56-3/h4-8,11-12,19-20,22-25,27-33,36-47,49-55H,9-10H2,1-3H3/t11-,12-,19+,20+,22-,23-,24+,25+,27+,28+,29-,30-,31+,32+,33+,36+,37+,38-,39+,40-/m0/s1
SMILES COc1cc(-c2oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O[C@@H]2O[C@H](CO[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia chinensis LINN. Ref.
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