input word = C00015445

Metabolite InformationStructural formula
Name Flagranone C
Formula C16H16O8
Mw 336.08451749
CAS RN 255064-43-8
C_ID C00015445 ,
InChIKey HSTGWHJVZDXYFE-XBXARRHUNA-N
InChICode InChI=1S/C16H16O8/c1-8(6-17)4-13(23-10(3)19)16-12(20)5-11(7-22-9(2)18)14(21)15(16)24-16/h4-6,13,15H,7H2,1-3H3/b8-4+/t13-,15+,16+/m0/s1
SMILES O=C/C(=C/[C@@H]([C@@]12[C@@H](C(=O)C(=CC1=O)COC(=O)C)O2)OC(=O)C)/C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiOrbiliaceaeDuddingtonia flagrans Ref.
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