input word = C00004489

Metabolite InformationStructural formula
Name Scutellarein 6-metnyl ether 7-neohesperidoside
Hispidulin 7-neohesperidoside
7-[[2-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Formula C28H32O15
Mw 608.17412036
CAS RN 156186-00-4
C_ID C00004489 ,
InChIKey HVGMINHJTDNOLV-JWIAJCNXNA-N
InChICode InChI=1S/C28H32O15/c1-10-19(32)22(35)24(37)27(39-10)43-26-23(36)20(33)17(9-29)42-28(26)41-16-8-15-18(21(34)25(16)38-2)13(31)7-14(40-15)11-3-5-12(30)6-4-11/h3-8,10,17,19-20,22-24,26-30,32-37H,9H2,1-2H3/t10-,17+,19-,20+,22-,23-,24+,26+,27-,28+/m0/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O)O)OC)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
PlantaeConvolvulaceaeIpomoea purpurea Ref.
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