input word = C00020013

Metabolite InformationStructural formula
Name Pseudobruceol I
Formula C18H16O7
Mw 344.08960287
CAS RN 145022-94-2
C_ID C00020013 ,
InChIKey KBKAJILAHBUKOF-IQPJTCNQNA-N
InChICode InChI=1S/C18H16O7/c1-8(19)10-5-6-17(2)18(10,23)16(22)14-12(25-17)7-11-9(15(14)21)3-4-13(20)24-11/h3-4,7,10,21,23H,5-6H2,1-2H3/t10-,17+,18+/m0/s1
SMILES c12c(cc3c(c1O)ccc(=O)o3)O[C@]1([C@](C2=O)([C@H](C(=O)C)CC1)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeEriostemon brucei subsp. cinereus Ref.
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