input word = C00004235

Metabolite InformationStructural formula
Name Scutellarein 6,7-dimethyl ether 4'-rutinoside
Formula C29H34O15
Mw 622.18977042
CAS RN 32214-78-1
C_ID C00004235 ,
InChIKey ZMPLHPSMBHMGHQ-SNZPEQCWNA-N
InChICode InChI=1S/C29H34O15/c1-11-20(31)23(34)25(36)28(41-11)40-10-18-21(32)24(35)26(37)29(44-18)42-13-6-4-12(5-7-13)15-8-14(30)19-16(43-15)9-17(38-2)27(39-3)22(19)33/h4-9,11,18,20-21,23-26,28-29,31-37H,10H2,1-3H3/t11-,18-,20+,21-,23+,24+,25-,26-,28-,29-/m1/s1
SMILES c1(c(c(c2c(c1)oc(cc2=O)c1ccc(cc1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCirsium brevistylum Ref.
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