input word = C00010606

Metabolite InformationStructural formula
Name Periclymenosidic acid
Formula C32H42O18
Mw 714.23711454
CAS RN 96681-56-0
C_ID C00010606 ,
InChIKey QTZXVESWHBGRDB-DCUALMSVNA-N
InChICode InChI=1S/C32H42O18/c1-12-17(8-14-15(29(42)43)11-45-30(22(12)14)50-32-28(41)26(39)24(37)20(10-34)49-32)46-21(35)6-4-13-3-5-16(18(7-13)44-2)47-31-27(40)25(38)23(36)19(9-33)48-31/h3-7,11-12,14,17,19-20,22-28,30-34,36-41H,8-10H2,1-2H3,(H,42,43)/b6-4+/t12-,14-,17+,19+,20+,22+,23+,24+,25-,26-,27+,28+,30-,31-,32-/m0/s1
SMILES [C@@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)Oc1c(cc(/C=C/C(=O)O[C@H]2[C@@H]([C@H]3[C@@H](OC=C([C@@H]3C2)C(=O)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO)C)cc1)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera caerulea Ref.
PlantaeCaprifoliaceae/Diervillaceae/Dipsacaceae/Linnaeaceae/ValerianaceaeLonicera coerulea Ref.
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