input word = C00010775

Metabolite InformationStructural formula
Name Sylvestroside II
Formula C35H50O20
Mw 790.28954404
CAS RN 71431-23-7
C_ID C00010775 ,
InChIKey HHQSMLRBHWUMDI-SYNIPWJFNA-N
InChICode InChI=1S/C35H50O20/c1-5-15-16(6-7-48-14(3)38)18(11-49-32(15)54-34-28(43)26(41)24(39)21(9-36)52-34)31(46)51-20-8-17-19(30(45)47-4)12-50-33(23(17)13(20)2)55-35-29(44)27(42)25(40)22(10-37)53-35/h5,11-13,15-17,20-29,32-37,39-44H,1,6-10H2,2-4H3/t13-,15-,16-,17+,20-,21-,22+,23-,24+,25+,26+,27+,28-,29-,32-,33-,34-,35-/m0/s1
SMILES C=C[C@H]1[C@H](O[C@@H]2OC(CO)[C@@H](O)C(O)[C@@H]2O)OC=C(C(=O)O[C@H]2C[C@@H]3C(C(=O)OC)=CO[C@@H](O[C@@H]4OC(CO)[C@@H](O)C(O)[C@@H]4O)[C@@H]3[C@H]2C)[C@H]1CCOC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeDipsacaceae/Diervillaceae/Linnaeaceae/ValerianaceaeDipsacus sylvestris Ref.
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