input word = C00010799

Metabolite InformationStructural formula
Name Sylvestroside IV
Formula C27H36O14
Mw 584.21050586
CAS RN 71431-25-9
C_ID C00010799 ,
InChIKey JGTLWLBBZPVAFK-JNSWUSPNNA-N
InChICode InChI=1S/C27H36O14/c1-4-12-13(5-6-28)16(10-38-26(12)41-27-22(32)21(31)20(30)18(8-29)40-27)23(33)39-17-7-14-15(11(17)2)9-37-25(35)19(14)24(34)36-3/h4,6,10-15,17-22,26-27,29-32H,1,5,7-9H2,2-3H3/t11-,12+,13-,14-,15+,17+,18-,19-,20+,21+,22+,26+,27+/m1/s1
SMILES [C@@H]1([C@H]2[C@@H](COC1=O)[C@H]([C@H](C2)OC(=O)C1=CO[C@H]([C@H]([C@H]1CC=O)C=C)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)C)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus sylvestris Ref.
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