input word = C00011780

Metabolite InformationStructural formula
Name Mollisorin A
Formula C20H26O5
Mw 346.17802394
CAS RN 72704-04-2
C_ID C00011780 ,
InChIKey ZYKRXWIPMUJNME-MLGCIWEZNA-N
InChICode InChI=1S/C20H26O5/c1-6-13(4)19(22)24-16-9-11(2)7-15(21)8-12(3)10-17-18(16)14(5)20(23)25-17/h6-7,10,15-18,21H,5,8-9H2,1-4H3/b11-7+,12-10+,13-6+/t15-,16-,17+,18-/m0/s1
SMILES O(C(=O)/C(=C/C)/C)[C@@H]1[C@H]2[C@@H](/C=C(/C[C@H](/C=C(/C1)\C)O)\C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium mikanioides Ref.
PlantaeAsteraceaeHelianthus mollis Ref.
PlantaeAsteraceaeTithonia rotundifolia Ref.
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OrganismHelianthus mollis
ReferenceBohlmann,Phytochem.,20,(1981),1613