input word = C00045325

Metabolite InformationStructural formula
Name Isocochlioquinone A
Formula C30H44O8
Mw 532.30361838
CAS RN 156759-06-7
C_ID C00045325 ,
InChIKey CQQWSAMDCPJWPC-NSFYNAMPNA-N
InChICode InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,25,27,32-33,35H,9-13H2,1-8H3/t15-,16-,20+,21+,25+,27+,29-,30+/m0/s1
SMILES CC[C@H](C)[C@@H](OC(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.
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OrganismDrechslera dematioidea
ReferenceOsterhage,J.Nat.Prod.,65,(2002),306