input word = C00006037

Metabolite InformationStructural formula
Name Haploside C
Formula C31H36O18
Mw 696.19016435
CAS RN 108279-04-5
C_ID C00006037 ,
InChIKey JGGRFKDDIGORCC-VJUUDRHONA-N
InChICode InChI=1S/C31H36O18/c1-10-19(35)22(38)25(41)30(45-10)49-29-23(39)20(36)17(9-44-11(2)32)47-31(29)46-16-8-14(34)18-21(37)24(40)26(48-28(18)27(16)43-4)12-5-6-13(33)15(7-12)42-3/h5-8,10,17,19-20,22-23,25,29-31,33-36,38-41H,9H2,1-4H3/t10-,17+,19+,20-,22+,23+,25-,29+,30+,31-/m1/s1
SMILES COc1cc(-c2oc3c(OC)c(O[C@@H]4OC(COC(C)=O)[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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