input word = C00005645

Metabolite InformationStructural formula
Name Patuletin-3-robinobioside
Formula C28H32O17
Mw 640.1639496
CAS RN 90706-65-3
C_ID C00005645 ,
InChIKey MLOJYABWNDVJMG-UZHBOYTQNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(32)20(36)22(38)27(42-8)41-7-14-17(33)21(37)23(39)28(44-14)45-26-19(35)15-13(6-12(31)25(40-2)18(15)34)43-24(26)9-3-4-10(29)11(30)5-9/h3-6,8,14,16-17,20-23,27-34,36-39H,7H2,1-2H3/t8-,14-,16-,17+,20-,21+,22-,23-,27+,28-/m0/s1
SMILES COc1c(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)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia dracunculus Ref.
PlantaeAsteraceaeBrickellia arguta Ref.
PlantaeAsteraceaeBrickellia cylindracea Ref.
PlantaeAsteraceaePallenis spinosa Ref.
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