input word = C00012227

Metabolite InformationStructural formula
Name 5-(Acetyloxy)-2,3,3a,4,5,8,9,11a-octahydro-6,10-bis(hydroxymethyl)-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-methylbutanoic acid
Formula C22H30O8
Mw 422.19406794
CAS RN 56679-24-4
C_ID C00012227 ,
InChIKey LQQVURUBFJKELJ-MVTUEYSXNA-N
InChICode InChI=1S/C22H30O8/c1-5-12(2)21(26)30-20-18-13(3)22(27)29-17(18)9-15(10-23)7-6-8-16(11-24)19(20)28-14(4)25/h8-9,12,17-20,23-24H,3,5-7,10-11H2,1-2,4H3/b15-9+,16-8-/t12-,17-,18+,19+,20+/m1/s1
SMILES [C@@H]12[C@H](OC(=O)C1=C)/C=C(\CC/C=C(\[C@@H]([C@H]2OC(=O)[C@H](C)CC)OC(=O)C)/CO)/CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAcanthospermum hispidum Ref.
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