input word = C00005710

Metabolite InformationStructural formula
Name Haploside F
Formula C28H32O17
Mw 640.1639496
CAS RN 97564-56-2
C_ID C00005710 ,
InChIKey BMSUUXFONFVKHS-RPGAZDHPNA-N
InChICode InChI=1S/C28H32O17/c1-8-16(32)20(36)23(39)27(41-8)45-26-21(37)17(33)14(7-29)43-28(26)42-13-6-11(31)15-19(35)22(38)24(44-25(15)18(13)34)9-3-4-10(30)12(5-9)40-2/h3-6,8,14,16-17,20-21,23,26-34,36-39H,7H2,1-2H3/t8-,14+,16-,17-,20-,21-,23+,26+,27-,28+/m0/s1
SMILES COc1cc(-c2oc3c(O)c(O[C@@H]4OC(CO)[C@@H](O)[C@H](O)C4O[C@@H]4OC(C)[C@H](O)[C@H](O)C4O)cc(O)c3c(=O)c2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
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