input word = C00018956

Metabolite InformationStructural formula
Name 6''-Vanilloyliridin
Formula C32H32O16
Mw 672.16903498
CAS RN 372097-93-3
C_ID C00018956 ,
InChIKey QJIJXRYWRDSFAA-WJLZJCHRNA-N
InChICode InChI=1S/C32H32O16/c1-41-18-8-13(5-6-16(18)33)31(40)46-12-22-25(36)27(38)28(39)32(48-22)47-21-10-19-23(26(37)30(21)44-4)24(35)15(11-45-19)14-7-17(34)29(43-3)20(9-14)42-2/h5-11,22,25,27-28,32-34,36-39H,12H2,1-4H3/t22-,25-,27+,28-,32-/m1/s1
SMILES COc1cc(C(=O)OCC2O[C@@H](Oc3cc4occ(-c5cc(O)c(OC)c(OC)c5)c(=O)c4c(O)c3OC)C(O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeIridaceaeBelamcanda chinensis Ref.
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