input word = C00004425

Metabolite InformationStructural formula
Name 8-Hydroxyluteolin 7-[6'''-acetylallosyl-(1->2)-6''-acetylglucoside]
Formula C31H34O19
Mw 710.16942891
CAS RN 108706-10-1
C_ID C00004425 ,
InChIKey FTPMODVTXJGVCJ-OBWKMYKYNA-N
InChICode InChI=1S/C31H34O19/c1-10(32)44-8-19-22(38)25(41)27(43)30(48-19)50-29-26(42)23(39)20(9-45-11(2)33)49-31(29)47-18-7-16(37)21-15(36)6-17(46-28(21)24(18)40)12-3-4-13(34)14(35)5-12/h3-7,19-20,22-23,25-27,29-31,34-35,37-43H,8-9H2,1-2H3/t19-,20-,22-,23-,25+,26+,27-,29-,30+,31-/m1/s1
SMILES c1(cc(c2c(c1O)oc(cc2=O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@H](O1)COC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeStachys anisochila Ref.
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