input word = C00011242

Metabolite InformationStructural formula
Name Rugulovasine A
Formula C16H16N2O2
Mw 268.12117777
CAS RN 26909-33-1
C_ID C00011242 ,
InChIKey QTWQJTORJVFWAQ-WKTCHCBJNA-N
InChICode InChI=1S/C16H16N2O2/c1-9-7-16(20-15(9)19)11-4-3-5-12-14(11)10(8-18-12)6-13(16)17-2/h3-5,7-8,13,17-18H,6H2,1-2H3/t13-,16+/m1/s1
SMILES CN[C@@H]1Cc2c[nH]c3cccc(c23)[C@@]12C=C(C)C(=O)O2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate IPP
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium biforme Ref.
FungiTrichocomaceaePenicillium concavo-rugulosum Ref.
FungiTrichocomaceaePenicillium islandicum Ref.
FungiTrichocomaceaePenicillium purpurogenum Ref.
FungiTrichocomaceaePenicillium verrucosum Ref.
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