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 c1(cc(c2c(c1OC)oc(c(c2=O)O)c1ccc(c(c1)OC)O)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)COC(=O)C)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeHaplophyllum perforatum Ref.
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