input word = C00005266

Metabolite InformationStructural formula
Name Isokaempferide 7-rutinoside
Formula C28H32O15
Mw 608.17412036
CAS RN 18467-06-6
C_ID C00005266 ,
InChIKey DDCXRGLXWQTCFL-UELBYDBRNA-N
InChICode InChI=1S/C28H32O15/c1-10-18(31)21(34)23(36)27(40-10)39-9-16-19(32)22(35)24(37)28(43-16)41-13-7-14(30)17-15(8-13)42-25(26(38-2)20(17)33)11-3-5-12(29)6-4-11/h3-8,10,16,18-19,21-24,27-32,34-37H,9H2,1-2H3/t10-,16-,18+,19+,21+,22+,23-,24-,27-,28-/m1/s1
SMILES COc1c(-c2ccc(O)cc2)oc2cc(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)[C@H](O)C3O)cc(O)c2c1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCentaurea arbutifolia Ref.
PlantaeAsteraceaeCentaurea arguta Ref.
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