input word = C00053731

Metabolite InformationStructural formula
Name Purpurquinone B
Formula C21H20O10
Mw 432.10564686
CAS RN 1333907-60-0
C_ID C00053731
InChIKey PLTDHXZQZPWZBC-QWOQCBQGSA-N
InChICode InChI=1S/C21H20O10/c1-4-5-11-6-10-7-14(24)20(3,18(27)21(10,29)19(28)30-11)31-17(26)15-9(2)16(25)13(23)8-12(15)22/h4-8,19,22-23,25,28-29H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
SMILES C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(O)cc(O)c(O)c3C)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.
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