input word = C00040603

Metabolite InformationStructural formula
Name Uredinorubellin II
Formula C30H22O9
Mw 526.1263823
CAS RN 1042416-03-4
C_ID C00040603 ,
InChIKey HBMRSLQYJBXZBW-FSIPYUHGNA-N
InChICode InChI=1S/C30H22O9/c1-11-7-14-22(17(32)8-11)28(38)30(39)19(34)6-5-15-20-12(10-29(15,30)27(14)37)9-18(33)23-24(20)25(35)13-3-2-4-16(31)21(13)26(23)36/h2-9,15,19,27,31-34,37,39H,10H2,1H3/t15-,19-,27+,29+,30+/m1/s1
SMILES Cc1cc(O)c2c(c1)[C@H](O)[C@]13Cc4cc(O)c5c(c4[C@H]1C=C[C@@H](O)C3(O)C2=O)C(=O)c1cccc(O)c1C5=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiMycosphaerellaceaeRamularia uredinicola Ref.
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