input word = C00012089

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5S*,6S*,10Z,11aS*)]- 2,3,3a,4,5,6,7,11a-Octahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
Formula C19H20O7
Mw 360.12090299
CAS RN 71052-04-5
C_ID C00012089 ,
InChIKey JZTMCIZAHSKJKM-PFTNTOBDNA-N
InChICode InChI=1S/C19H20O7/c1-8(2)17(22)25-15-14-10(4)18(23)24-12(14)6-9(3)11-7-13(20)19(5,26-11)16(15)21/h6-7,12,14-16,21H,1,4H2,2-3,5H3/b9-6-/t12-,14+,15+,16-,19+/m1/s1
SMILES C\1=C(\C2=CC(=O)[C@@]([C@@H]([C@H]([C@@H]3[C@@H]1OC(=O)C3=C)OC(=O)C(=C)C)O)(O2)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeCalea urticifolia Ref.
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OrganismCalea urticifolia
ReferenceBohlmann,Phytochem.,18,(1979),119