input word = C00004422

Metabolite InformationStructural formula
Name 8-Hydroxyluteolin 8-gentiobioside
Formula C27H30O17
Mw 626.14829954
CAS RN 115921-09-0
C_ID C00004422 ,
InChIKey AQHGCHUVXUMKOP-FEWAMNAYNA-N
InChICode InChI=1S/C27H30O17/c28-6-15-18(34)20(36)22(38)26(42-15)40-7-16-19(35)21(37)23(39)27(43-16)44-24-13(33)4-11(31)17-12(32)5-14(41-25(17)24)8-1-2-9(29)10(30)3-8/h1-5,15-16,18-23,26-31,33-39H,6-7H2/t15-,16+,18-,19-,20+,21+,22-,23-,26-,27+/m1/s1
SMILES O=c1cc(-c2ccc(O)c(O)c2)oc2c(O[C@@H]3O[C@@H](CO[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(O)cc(O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeAlthaea officinalis Ref.
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