input word = C00045326

Metabolite InformationStructural formula
Name Isocochlioquinone C
(+)-Isocochlioquinone C
Formula C28H40O7
Mw 488.27740363
CAS RN 173355-87-8
C_ID C00045326 ,
InChIKey NZUVNIFDHVYNAE-LWYGMIJCNA-N
InChICode InChI=1S/C28H40O7/c1-8-14(2)21(30)15(3)16-13-17(29)20-23(32)25-27(6)11-9-18(26(4,5)33)34-19(27)10-12-28(25,7)35-24(20)22(16)31/h13-15,18-19,25,29,31,33H,8-12H2,1-7H3/t14-,15-,18+,19+,25+,27-,28+/m0/s1
SMILES CC[C@H](C)C(=O)[C@@H](C)c1cc(O)c2c(c1O)O[C@]1(C)CC[C@H]3O[C@@H](C(C)(C)O)CC[C@]3(C)[C@H]1C2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeDrechslera dematioidea Ref.
zoom in