input word = C00013002

Metabolite InformationStructural formula
Name Torrentin
[3S-(3alpha,3aalpha,5abeta,6beta,8beta,9bbeta)]-8-(Acetyloxy)-3a,4,5,5a,6,7,8,9b-octahydro-6-hydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one
Formula C17H24O5
Mw 308.16237388
CAS RN 73483-51-9
C_ID C00013002 ,
InChIKey FFGLZQUYRFNCIG-ORPZDQCENA-N
InChICode InChI=1S/C17H24O5/c1-8-11-5-6-17(4)13(19)7-12(21-10(3)18)9(2)14(17)15(11)22-16(8)20/h8,11-13,15,19H,5-7H2,1-4H3/t8-,11-,12-,13+,15-,17-/m0/s1
SMILES [C@@H]1([C@]2(C(=C([C@H](C1)OC(=O)C)C)[C@@H]1[C@@H](CC2)[C@@H](C(=O)O1)C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeArtemisia herba alba Ref.
PlantaeAsteraceaeArtemisia herba-alba Ref.
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