input word = C00038985

Metabolite InformationStructural formula
Name Dentatin A
Formula C21H32O9
Mw 428.20463262
CAS RN 161167-99-3
C_ID C00038985 ,
InChIKey FHJCIEPIVAMXRP-NFPLETTPNA-N
InChICode InChI=1S/C21H32O9/c1-7-4-11(23)15-9(3)20(27)30-19(15)14-8(2)12(5-10(7)14)28-21-18(26)17(25)16(24)13(6-22)29-21/h8-19,21-26H,1,4-6H2,2-3H3/t8-,9+,10-,11+,12-,13+,14-,15+,16+,17-,18+,19+,21+/m0/s1
SMILES C=C1C[C@@H](O)[C@@H]2[C@H](OC(=O)[C@@H]2C)[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGonospermum gomerae Ref.
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