input word = C00030080

Metabolite InformationStructural formula
Name Cynanoside J
Formula C41H62O15
Mw 794.40887131
CAS RN 858948-48-8
C_ID C00030080 ,
InChIKey BRAQGYOYQRQKSH-ZQUYKJSDNA-N
InChICode InChI=1S/C41H62O15/c1-19-36(44)29(46-6)14-34(50-19)55-37-20(2)51-32(13-26(37)42)56-38-21(3)52-33(15-30(38)47-7)53-28-12-23-9-10-24-25(40(23,4)16-27(28)43)11-8-22-17-48-41(5)35(22)31(18-49-41)54-39(24)45/h9,17,19-21,24-38,42-44H,8,10-16,18H2,1-7H3/t19-,20+,21+,24+,25-,26-,27+,28+,29+,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-/m0/s1
SMILES [C@@H]1([C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)CCC1=CO[C@@]2([C@H]1[C@H](OC3=O)CO2)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)OC)O)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCynanchum sublanceolatum Ref.
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