input word = C00000253

Metabolite InformationStructural formula
Name (+-)-Strigol acetate
Formula C21H24O7
Mw 388.15220312
CAS RN 139627-98-8
C_ID C00000253 ,
InChIKey AOHYMVJOAOUQHB-KCPCCEOCNA-N
InChICode InChI=1S/C21H24O7/c1-10-7-16(27-19(10)23)25-9-14-12-8-13-15(26-11(2)22)5-6-21(3,4)17(13)18(12)28-20(14)24/h7,9,12,15-16,18H,5-6,8H2,1-4H3/b14-9+/t12-,15+,16-,18+/m1/s1
SMILES CC(=O)O[C@H]1CCC(C)(C)C2=C1C[C@@H]1/C(=CO[C@H]3C=C(C)C(=O)O3)C(=O)O[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMalvaceaeGossypium sp. Ref.
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