input word = C00034961

Metabolite InformationStructural formula
Name Rubellin E
(+)-Rubellin E
Formula C30H24O11
Mw 560.13186161
CAS RN 907579-87-7
C_ID C00034961 ,
InChIKey GMHYAMBYOJNKBN-QSLHUFNZNA-N
InChICode InChI=1S/C30H24O11/c1-10-6-12(20(29(40)41)17(34)7-10)27(38)30-9-11-8-18(35)23-24(19(11)13(30)2-3-16(33)28(30)39)26(37)22-15(32)5-4-14(31)21(22)25(23)36/h2-8,13,16,27-28,31-35,38-39H,9H2,1H3,(H,40,41)/t13-,16-,27+,28-,30-/m1/s1
SMILES [C@H]12[C@@](Cc3c1c1c(c(c3)O)C(=O)c3c(C1=O)c(ccc3O)O)([C@@H]([C@@H](C=C2)O)O)[C@H](c1c(c(cc(c1)C)O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycosphaerellaceaeRamularia collocygni Ref.
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OrganismRamularia collocygni
ReferenceMiethbauer,Phytochem.,69,(2006),1206