input word = C00057651

Metabolite InformationStructural formula
Name Scutellarein 6-rutinoside
Formula C27H30O15
Mw 594.15847029
CAS RN 91485-76-6
C_ID C00057651
InChIKey IWZASGNDHSTNFR-IJTJPAHASA-N
InChICode InChI=1S/C27H30O15/c1-9-18(31)21(34)23(36)26(39-9)38-8-16-19(32)22(35)24(37)27(41-16)42-25-13(30)7-15-17(20(25)33)12(29)6-14(40-15)10-2-4-11(28)5-3-10/h2-7,9,16,18-19,21-24,26-28,30-37H,8H2,1H3/t9-,16+,18-,19+,21+,22-,23+,24+,26+,27-/m0/s1
SMILES OC1=CC=C(C(OC2=C3C(O)=C(O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)C(O)=C2)=CC3=O)C=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeCitrus sp. Ref.
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