input word = C00023969

Metabolite InformationStructural formula
Name Arugosin C
1,12a-Dihydro-6,8-dihydroxy-1-(1-hydroxy-1-methylethyl)-4-methyl-9-(3-methylbut-2-enyl[1]benzopyrano[4,5-bc][1]benzoxepin-7(2H)-one
Formula C25H28O6
Mw 424.18858863
CAS RN 50875-10-0
C_ID C00023969 ,
InChIKey MYJGUMZTENHAAQ-UHFFFAOYNA-N
InChICode InChI=1S/C25H28O6/c1-12(2)6-7-14-8-9-17-19(21(14)27)22(28)18-16(26)10-13(3)23-20(18)24(31-17)15(11-30-23)25(4,5)29/h6,8-10,15,24,26-27,29H,7,11H2,1-5H3/t15-,24+/m1/s1
SMILES [C@@H]12Oc3c(C(=O)c4c1c(c(cc4O)C)OC[C@H]2C(C)(O)C)c(c(cc3)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaeAspergillus rugulosus A.R.M. 325 Ref.
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OrganismAspergillus rugulosus A.R.M. 325
ReferenceBallantine,J.Chem.Soc.,Perkin 1,(1973),1825-1830

Turner,Fungal Metabolites II

Academic Press,New York,NY,631 pp.(1983)