input word = C00004224

Metabolite InformationStructural formula
Name Scutellarein 7-rutinoside
Formula C27H30O15
Mw 594.15847029
CAS RN 36285-12-8
C_ID C00004224 ,
InChIKey CMAUMDKYDZZLTH-XRAQIXPONA-N
InChICode InChI=1S/C27H30O15/c1-9-18(30)22(34)24(36)26(39-9)38-8-16-20(32)23(35)25(37)27(42-16)41-15-7-14-17(21(33)19(15)31)12(29)6-13(40-14)10-2-4-11(28)5-3-10/h2-7,9,16,18,20,22-28,30-37H,8H2,1H3/t9-,16+,18-,20+,22-,23-,24-,25+,26+,27+/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3cc4oc(-c5ccc(O)cc5)cc(=O)c4c(O)c3O)C(O)[C@@H](O)[C@@H]2O)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAcanthaceaeBarleria prionitis Ref.
PlantaeCrassulaceaeSempervivum ruthenicum Ref.
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