input word = C00004225

Metabolite InformationStructural formula
Name Scutellarein 7-neohesperidoside
Formula C27H30O15
Mw 594.15847029
CAS RN 85852-24-0
C_ID C00004225 ,
InChIKey CEGDSBAORURRFV-QCWJFGRENA-N
InChICode InChI=1S/C27H30O15/c1-9-18(31)22(35)24(37)26(38-9)42-25-23(36)20(33)16(8-28)41-27(25)40-15-7-14-17(21(34)19(15)32)12(30)6-13(39-14)10-2-4-11(29)5-3-10/h2-7,9,16,18,20,22-29,31-37H,8H2,1H3/t9-,16-,18+,20-,22+,23+,24-,25-,26+,27-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria prionitis Ref.
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