input word = C00005502

Metabolite InformationStructural formula
Name Azaleatin 3-rutinoside
Formula C28H32O16
Mw 624.16903498
CAS RN 63764-79-4
C_ID C00005502 ,
InChIKey ZQGOPIYRGSTAIY-JLQPFEQCNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(39-2)6-11(29)7-15(17)42-25(26)10-3-4-12(30)13(31)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16+,18-,19-,21-,22-,23+,24+,27+,28-/m0/s1
SMILES COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(CO[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)[C@@H](O)C(O)C3O)c(=O)c12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEricaceaeRhododendron simsii Ref.
PlantaeJuglandaceaeCarya pecan Ref.
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