input word = C00011782

Metabolite InformationStructural formula
Name Mollisorin B
Formula C20H26O6
Mw 362.17293856
CAS RN 72229-34-6
C_ID C00011782 ,
InChIKey KCUQHLKAVMLGGV-QZRGVJOQNA-N
InChICode InChI=1S/C20H26O6/c1-10-6-14(21)7-11(2)9-16(25-19(23)20(5)13(4)26-20)17-12(3)18(22)24-15(17)8-10/h7-8,13-17,21H,3,6,9H2,1-2,4-5H3/b10-8+,11-7+/t13-,14+,15+,16-,17+,20-/m1/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(C)C[C@H](O)/C=C(C)C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium chinense Ref.
PlantaeAsteraceaeEupatorium mikanioides Ref.
PlantaeAsteraceaeHelianthus mollis Ref.
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