input word = C00004476

Metabolite InformationStructural formula
Name Isoetin 7-glucoside-2'-(4''-acetylxyloside)
Formula C28H30O17
Mw 638.14829954
CAS RN 134981-98-9
C_ID C00004476 ,
InChIKey GBYRRWUDRLYBIP-UASGDFQJNA-N
InChICode InChI=1S/C28H30O17/c1-9(30)41-20-8-40-27(25(38)23(20)36)44-17-5-13(32)12(31)4-11(17)16-6-15(34)21-14(33)2-10(3-18(21)43-16)42-28-26(39)24(37)22(35)19(7-29)45-28/h2-6,19-20,22-29,31-33,35-39H,7-8H2,1H3/t19-,20+,22-,23+,24+,25+,26-,27+,28-/m1/s1
SMILES CC(=O)O[C@@H]1CO[C@@H](Oc2cc(O)c(O)cc2-c2cc(=O)c3c(O)cc(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)cc3o2)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHypochoeris laevigata Ref.
PlantaeAsteraceaeHypochoeris maculata Ref.
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