input word = C00008224

Metabolite InformationStructural formula
Name Acinoside
Formula C28H34O14
Mw 594.1948558
CAS RN
C_ID C00008224 ,
InChIKey CJHKSZULOSJAFG-VLABSMGGNA-N
InChICode InChI=1S/C28H34O14/c1-11-26(42-28-24(35)22(33)21(32)19(10-29)41-28)23(34)25(36)27(38-11)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21+,22-,23-,24+,25+,26-,27-,28-/m0/s1
SMILES c1(cc(c2c(c1)O[C@@H](CC2=O)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLamiaceaeAcinos thymoides Ref.
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