input word = C00026697

Metabolite InformationStructural formula
Name Pityriarubin A
Formula C32H22N4O4
Mw 526.16410522
CAS RN 454475-83-3
C_ID C00026697 ,
InChIKey MTYFENJTEZHZIP-KSYWNVGFNA-N
InChICode InChI=1S/C32H22N4O4/c37-29-26(20-14-33-22-10-4-1-8-17(20)22)27(21-15-34-23-11-5-2-9-18(21)23)30(38)32(29)28-19(13-25(36-32)31(39)40)16-7-3-6-12-24(16)35-28/h1-12,14-15,25,33-36H,13H2,(H,39,40)/t25-/m0/s1
SMILES c12c(cccc1)c(c[nH]2)C1=C(c2c3c(cccc3)[nH]c2)C(=O)[C@]2(C1=O)c1c(C[C@H](N2)C(=O)O)c2c([nH]1)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
--Malassezia furfur Ref.
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