input word = C00011778

Metabolite InformationStructural formula
Name [3aR-[3aR*,4R*(2S*,3S*),6E,8S*,10E,11aR*]]-2,3,3a,4,5,8,9,11a-Octahydro-8-hydroxy-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-4-yl ester 2-hydroxy-2-(hydroxymethyl)-3-mercapto-butanoic acid
Formula C20H28O7S
Mw 412.15557398
CAS RN 72229-36-8
C_ID C00011778 ,
InChIKey VLJMGJBBVNUYSJ-VKBLTSBKNA-N
InChICode InChI=1S/C20H28O7S/c1-10-5-14(22)6-11(2)8-16(17-12(3)18(23)26-15(17)7-10)27-19(24)20(25,9-21)13(4)28/h6-7,13-17,21-22,25,28H,3,5,8-9H2,1-2,4H3/b10-7+,11-6-/t13-,14+,15-,16+,17-,20+/m0/s1
SMILES O(C(=O)[C@@](CO)([C@@H](S)C)O)[C@H]1[C@@H]2[C@H](/C=C(/C[C@H](/C=C(\C1)/C)O)\C)OC(=O)C2=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeEupatorium mikanioides Ref.
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