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 COc1cc2oc(-c3ccc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)[C@H](O)C5O)[C@@H](O)C(O)C4O)cc3)cc(=O)c2c(O)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCirsium brevistylum Ref.
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