input word = C00026474

Metabolite InformationStructural formula
Name Penigequinolone A
(+)-Penigequinolone A
Formula C27H33NO6
Mw 467.23078779
CAS RN 180045-91-4
C_ID C00026474 ,
InChIKey CVWJKBJRSZXDIW-XNOPLSMINA-N
InChICode InChI=1S/C27H33NO6/c1-25(2)14-15-26(3,34-16-25)13-12-17-6-11-20-21(22(17)29)27(31,23(33-5)24(30)28-20)18-7-9-19(32-4)10-8-18/h6-13,23,29,31H,14-16H2,1-5H3,(H,28,30)/b13-12+/t23-,26+,27+/m0/s1
SMILES c1c(c(c2c(c1)NC(=O)[C@@H]([C@]2(c1ccc(cc1)OC)O)OC)O)/C=C/[C@@]1(CCC(CO1)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium cf. simplicissimum Ref.
FungiTrichocomaceaePenicillium scabrosum Ref.
FungiTrichocomaceaePenicillium sp. no.410 Ref.
FungiTrichocomaceaePenicillium sp.NTC-47 Ref.
--Stigmatella aurantiaca Sg a15 Ref.
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