input word = C00005349

Metabolite InformationStructural formula
Name Herbacetin 8-gentiobioside
Formula C27H30O17
Mw 626.14829954
CAS RN 69640-76-2
C_ID C00005349 ,
InChIKey NEXNCPZBXXOJGZ-UTDXKFOXNA-N
InChICode InChI=1S/C27H30O17/c28-6-12-15(32)18(35)21(38)26(41-12)40-7-13-16(33)19(36)22(39)27(42-13)44-24-11(31)5-10(30)14-17(34)20(37)23(43-25(14)24)8-1-3-9(29)4-2-8/h1-5,12-13,15-16,18-19,21-22,26-33,35-39H,6-7H2/t12-,13+,15-,16-,18+,19-,21-,22-,26-,27+/m1/s1
SMILES c1(cc(c2c(c1O[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)oc(c(c2=O)O)c1ccc(cc1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeCalluna vulgaris Ref.
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