input word = C00011826

Metabolite InformationStructural formula
Name [3aS-(3aR*,6Z,10Z,11aS*)]-10-[(Acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-6-(hydroxymethyl)-3-methylenecyclodeca[b]furan-2(3H)-one
Formula C17H22O5
Mw 306.14672381
CAS RN 126647-24-3
C_ID C00011826 ,
InChIKey XGODCDTVQAHYAH-UXGVBVDMNA-N
InChICode InChI=1S/C17H22O5/c1-11-15-7-6-13(9-18)4-3-5-14(10-21-12(2)19)8-16(15)22-17(11)20/h4,8,15-16,18H,1,3,5-7,9-10H2,2H3/b13-4-,14-8-/t15-,16-/m0/s1
SMILES C=C1C(=O)O[C@@H]2/C=C(COC(C)=O)CC/C=C(CO)CC[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeDicoma capensis Ref.
PlantaeAsteraceaeDicoma tomentosa Ref.
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