input word = C00011243

Metabolite InformationStructural formula
Name 8-Chlororugulovasine A
Formula C16H15ClN2O2
Mw 302.08220545
CAS RN 59787-45-0
C_ID C00011243 ,
InChIKey SDYOUVJWVNBXPX-ZEFNCDPZNA-N
InChICode InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m1/s1
SMILES c1(c2c3c(cc1)[C@@]1([C@@H](Cc3c[nH]2)NC)OC(=O)C(=C1)C)Cl
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Phe
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium islandicum Ref.
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