input word = C00011861

Metabolite InformationStructural formula
Name (3aR,4R,6E,10E,11aR)-10-[(Acetyloxy)methyl]-6-formyl-2,3,3a,4,5,8,9,11a-octahydro-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
Formula C22H28O7
Mw 404.18350325
CAS RN 72023-26-8
C_ID C00011861 ,
InChIKey ALJXWCROGAMOBL-HKJCQMOUNA-N
InChICode InChI=1S/C22H28O7/c1-5-13(2)21(25)28-18-9-16(11-23)7-6-8-17(12-27-15(4)24)10-19-20(18)14(3)22(26)29-19/h7,10-11,13,18-20H,3,5-6,8-9,12H2,1-2,4H3/b16-7+,17-10+/t13-,18-,19+,20-/m1/s1
SMILES C\1(=C\CC/C(=C\[C@H]2[C@@H]([C@@H](C1)OC(=O)[C@H](C)CC)C(=C)C(=O)O2)/COC(=O)C)/C=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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