input word = C00021130

Metabolite InformationStructural formula
Name Microhelenin B
Formula C20H28O5
Mw 348.193674
CAS RN 63569-08-4
C_ID C00021130 ,
InChIKey VSRLMYQKLUPERI-QZUXLXBGNA-N
InChICode InChI=1S/C20H28O5/c1-6-10(2)18(22)25-17-16-12(4)19(23)24-14(16)9-11(3)13-7-8-15(21)20(13,17)5/h7-8,10-14,16-17H,6,9H2,1-5H3/t10-,11+,12-,13-,14+,16-,17-,20-/m0/s1
SMILES CCC(C)C(=O)O[C@H]1[C@@H]2[C@H](C)C(=O)O[C@@H]2C[C@@H](C)[C@@H]2C=CC(=O)[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeHelenium microcephalum Ref.
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