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 Cc1cc(O)c(C(=O)O)c([C@H](O)C23Cc4cc(O)c5c(c4[C@H]2C=C[C@@H](O)[C@H]3O)C(=O)c2c(O)ccc(O)c2C5=O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycosphaerellaceaeRamularia collocygni Ref.
zoom in