input word = C00039431

Metabolite InformationStructural formula
Name Isocyclocitrinol A
Formula C25H36O4
Mw 400.26135964
CAS RN 636599-88-7
C_ID C00039431 ,
InChIKey UVBQBSNVVCZFQB-BPSWJARBNA-N
InChICode InChI=1S/C25H36O4/c1-4-5-23(28)25(3,29)22-9-8-20-19-14-21(27)16-12-15(6-7-17(26)13-16)18(19)10-11-24(20,22)2/h4-6,14,16-18,20,22-23,26,28-29H,7-13H2,1-3H3/b5-4+/t16-,17+,18+,20-,22-,23-,24-,25+/m0/s1
SMILES C/C=C/[C@H](O)[C@](C)(O)[C@H]1CC[C@H]2C3=CC(=O)[C@H]4CC(=CC[C@H](O)C4)[C@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium citrinum HGY1-5 Ref.
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