input word = C00053730

Metabolite InformationStructural formula
Name Purpurquinone A
Formula C21H20O9
Mw 416.11073224
CAS RN 1333907-59-7
C_ID C00053730
InChIKey AWAFQUDYYMTSLY-QWOQCBQGSA-N
InChICode InChI=1S/C21H20O9/c1-4-5-13-7-11-8-15(24)20(3,18(26)21(11,28)19(27)29-13)30-17(25)16-10(2)6-12(22)9-14(16)23/h4-9,19,22-23,27-28H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
SMILES C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3O)C(=O)[C@@]2(O)[C@@H](O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium purpurogenum JS03-21 Ref.
zoom in