input word = C00021173

Metabolite InformationStructural formula
Name Flexusin B
Formula C20H28O6
Mw 364.18858863
CAS RN 6805-36-3
C_ID C00021173 ,
InChIKey NVWSHXGIQXQTBM-TYBMTBLENA-N
InChICode InChI=1S/C20H28O6/c1-9(2)6-15(23)26-18-16-11(4)19(24)25-13(16)7-10(3)17-12(21)8-14(22)20(17,18)5/h6,10-13,16-18,21H,7-8H2,1-5H3/t10-,11+,12+,13-,16+,17-,18+,20-/m1/s1
SMILES CC(C)=CC(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2[C@@H](O)CC(=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium flexuosum Ref.
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