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 C([C@@H](C(=O)[C@H](c1cc(c2c(c1O)O[C@]1([C@H](C2=O)[C@@]2([C@@H](CC1)O[C@H](CC2)C(C)(O)C)C)C)O)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeDrechslera dematioidea Ref.
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OrganismDrechslera dematioidea
ReferenceOsterhage,J.Nat.Prod.,65,(2002),306