input word = C00021166

Metabolite InformationStructural formula
Name Acetylhymenograndin
Formula C21H28O8
Mw 408.17841787
CAS RN 72264-72-3
C_ID C00021166 ,
InChIKey MOYXNJHXWIYEQO-JGGOJVJGNA-N
InChICode InChI=1S/C21H28O8/c1-9-7-15-14(10(2)20(25)29-15)8-21(6)16(9)17(26-11(3)22)18(27-12(4)23)19(21)28-13(5)24/h9,14-19H,2,7-8H2,1,3-6H3/t9-,14-,15-,16-,17-,18-,19+,21+/m1/s1
SMILES C=C1C(=O)O[C@@H]2C[C@@H](C)[C@@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]3(C)C[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHymenoxys insignis Ref.
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