input word = C00020764

Metabolite InformationStructural formula
Name Diaspanoside B
Formula C21H28O8
Mw 408.17841787
CAS RN 109605-93-8
C_ID C00020764 ,
InChIKey NFPFDUCKBQMYPB-DWQSONATNA-N
InChICode InChI=1S/C21H28O8/c1-8-4-5-11-9(2)13(6-12-10(3)20(26)29-19(12)15(8)11)27-21-18(25)17(24)16(23)14(7-22)28-21/h11-19,21-25H,1-7H2/t11-,12-,13-,14+,15-,16+,17-,18+,19-,21+/m0/s1
SMILES C=C1CC[C@H]2C(=C)[C@@H](O[C@@H]3OC(CO)[C@@H](O)[C@H](O)C3O)C[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDiaspananthus uniflorus Ref.
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