input word = C00012315

Metabolite InformationStructural formula
Name [3aS-(3aR*,4R*,5R*,6R*,10E,11aS*)]- 5-(Acetyloxy)-2,3,3a,4,5,6,7,8,9,11a-decahydro-6-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxocyclodeca[b]furan-4-yl ester 3-methylbutanoic acid
Formula C22H30O8
Mw 422.19406794
CAS RN 89355-49-7
C_ID C00012315 ,
InChIKey YSWOJEFUEWVYNN-XPIFMWELNA-N
InChICode InChI=1S/C22H30O8/c1-11(2)9-17(25)30-19-18-13(4)21(26)29-15(18)10-12(3)7-8-16(24)22(6,27)20(19)28-14(5)23/h10-11,15,18-20,27H,4,7-9H2,1-3,5-6H3/b12-10+/t15-,18+,19-,20-,22+/m0/s1
SMILES [C@H]12[C@@H](OC(=O)C1=C)/C=C(/CCC(=O)[C@@]([C@H]([C@H]2OC(=O)CC(C)C)OC(=O)C)(C)O)\C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTrichogonia prancii Ref.
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